SCHEMBL19232109

SCHEMBL19232109

CCCC(C)(C)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.42
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
CNR1 P21554 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RIPK1 Q13546 1/20 0.36
AR P10275 1/20 0.35
ACHE P22303 1/20 0.35
KCNN4 O15554 1/20 0.34
SHBG P04278 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15996608 0.87 CNR2 (0.49) CNR2ESR1ESR2CNR1
SCHEMBL23616384 0.84 CNR2 (0.44) CNR2ESR1ESR2CNR1NPC1
SCHEMBL25101398 0.82 ESR1 (0.48) ESR1ESR2MEN1NPC1MAPT
SCHEMBL19987501 0.82 CNR2 (0.42) CNR2ESR1ESR2MEN1KMT2A
SCHEMBL780298 0.81 NPC1 (0.48) CNR2MEN1NPC1MAPTXBP1
SCHEMBL18930278 0.81 TSHR (0.46) CNR2ESR1ESR2CNR1AR
SCHEMBL14039798 0.80 CNR2 (0.38) CNR2NPC1HTTRAB9ASMN1; SMN2
SCHEMBL5777587 0.80 SMN1; SMN2 (0.39) CNR2ESR1ESR2CNR1MEN1
SCHEMBL19441058 0.80 TAAR1 (0.50) ESR1ESR2MEN1MAPK1HTT
SCHEMBL12981405 0.79 TSHR (0.50) CNR2ESR1ESR2CNR1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11654137-B2 3-(hydroxy)-pyridin-4(1H)-one compounds and methods of making and using the same GEORGIA TECH RESEARCH CORPORATION (US) 2023-05-23 US disclosed
US-11649251-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-05-16 US disclosed
US-11377422-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2022-07-05 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-11180498-B2 Substituted pyrrolo[2,3-b]pyridines, pyrazolo[3,4-d]pyrimidines and [1,2,3]triazolo[4,5-b]pyridines as potent antivirals THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-23 US disclosed
US-11059817-B2 Potent antiviral pyrazolopyridine compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-13 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 US disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
US-20190144416-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2019-05-16 US disclosed
US-20190119216-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
US-20180194757-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 US disclosed
US-9987276-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2018-06-05 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (18 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11654137-B2 3-(hydroxy)-pyridin-4(1H)-one compounds and methods of making and using the same KDM1B, KDM3A, KDM1A CNR2 4503/4885ESR1 2792/4885ESR2 2168/4885
US-10167254-B2 IDO inhibitors IDO1, IDO2, INMT CNR2 1429/4885ESR1 3722/4885ESR2 2856/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 CNR2 1209/4885ESR1 4268/4885ESR2 2809/4885
US-20180194757-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CNR2 1057/4885ESR1 3109/4885ESR2 3276/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 CNR2 3026/4885ESR1 4768/4885ESR2 4317/4885
US-20190144416-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT CNR2 474/4885ESR1 3732/4885ESR2 2060/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT CNR2 1429/4885ESR1 3722/4885ESR2 2856/4885
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AGTR1, AGTR2, APLNR CNR2 175/4885ESR1 1529/4885ESR2 882/4885
US-11649251-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 CNR2 4601/4885ESR1 1941/4885ESR2 2279/4885
US-11180498-B2 Substituted pyrrolo[2,3-b]pyridines, pyrazolo[3,4-d]pyrimidines and [1,2,3]triazolo[4,5-b]pyridines as potent antivirals PNPO, TYMS, TYMP CNR2 3148/4885ESR1 4715/4885ESR2 4311/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK CNR2 2355/4885ESR1 3161/4885ESR2 3084/4885
US-11377422-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 CNR2 181/4885ESR1 2396/4885ESR2 1986/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP CNR2 3006/4885ESR1 2409/4885ESR2 1922/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT CNR2 528/4885ESR1 2700/4885ESR2 1201/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB CNR2 4097/4885ESR1 1884/4885ESR2 2708/4885
US-20190119216-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT CNR2 474/4885ESR1 3732/4885ESR2 2060/4885
US-11059817-B2 Potent antiviral pyrazolopyridine compounds MAVS, VRK1, VRK2 CNR2 3923/4885ESR1 4809/4885ESR2 4115/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT CNR2 528/4885ESR1 2700/4885ESR2 1201/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.