SCHEMBL449319

SCHEMBL449319

[CH]1CNc2ncccc2O1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
CYP1A2 P05177 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
METAP1 P53582 1/20 0.30
BLM P54132 1/20 0.30
HIF1A Q16665 1/20 0.30
DOHH Q9BU89 1/20 0.30
P4HTM Q9NXG6 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20710967 0.81 NPC1 (0.33) NPC1
SCHEMBL30219285 0.71
SCHEMBL17420979 0.71
SCHEMBL29578645 0.71
SCHEMBL18852 0.71 NPC1 (0.34) NPC1
SCHEMBL19475848 0.68 GAA (0.44) LMNASMN1; SMN2
SCHEMBL1093026 0.68 GRM5 (0.50) NPC1LMNASMN1; SMN2
SCHEMBL1762427 0.68 NPC1 (0.35) NPC1CYP1A2SMN1; SMN2
SCHEMBL2119266 0.67
SCHEMBL3011099 0.66 NPC1 (0.40) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
US-20240043435-A1 TYK-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2024-02-08 US claimed
US-11820769-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-11-21 US claimed
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US claimed
WO-2023144053-A1 HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2023-08-03 WO claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
US-20220062258-A1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 2022-03-03 US claimed
US-20220024918-A1 TRIAZOLOPYRIDIN-3-ONES OR THEIR SALTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2022-01-27 US claimed
EP-3914590-A1 HETEROCYCLIC DERIVATIVES Merck Patent GmbH (DE) 2021-12-01 EP claimed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP claimed
WO-2011006567-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2011-01-20 WO claimed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
US-20100137280-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-06-03 US claimed
EP-2155724-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2010-02-24 EP claimed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 US claimed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US claimed
WO-2008116833-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2008-10-02 WO claimed
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 WO claimed

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

For each of this compound's patents that has machine-readable text (11 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-11820769-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same VAPB, HDLBP, VAPA NPC1 11/4885CYP1A2 459/4885KDM4E 4294/4885
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 NPC1 524/4885CYP1A2 209/4885KDM4E 1499/4885
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 NPC1 1553/4885CYP1A2 633/4885KDM4E 4728/4885
US-20100137280-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR4, HTR3C NPC1 1102/4885CYP1A2 233/4885KDM4E 3620/4885
US-20240043435-A1 TYK-2 INHIBITOR TYK2, IRAK2, PTK2B NPC1 4606/4885CYP1A2 2396/4885KDM4E 633/4885
US-20220024918-A1 TRIAZOLOPYRIDIN-3-ONES OR THEIR SALTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPB, HDLBP, VAPA NPC1 11/4885CYP1A2 459/4885KDM4E 4294/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL NPC1 1262/4885CYP1A2 3869/4885KDM4E 1848/4885
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R NPC1 857/4885CYP1A2 351/4885KDM4E 2523/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 NPC1 3469/4885CYP1A2 1356/4885KDM4E 1192/4885
US-20220062258-A1 Heterocyclic derivatives XIAP, UBQLN1, UBQLN2 NPC1 3435/4885CYP1A2 1564/4885KDM4E 1056/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 NPC1 1528/4885CYP1A2 672/4885KDM4E 4739/4885

“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.