SCHEMBL19630481

SCHEMBL19630481

[CH]1CCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MAOB P27338 3/20 0.39
CYP2A6 P11509 1/20 0.37
MAOA P21397 1/20 0.37
KDM1A O60341 1/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2C P28335 1/20 0.33
NOS3 P29474 1/20 0.32
BCL2L1 Q07817 1/20 0.32
BAD Q92934 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL2680 0.84
SCHEMBL268687 0.82 CYP2A6 (0.45) TSHRMAOBCYP2A6MAOAMAPT
SCHEMBL29263188 0.82 MAOB (0.40) TSHRMAOBCYP2A6MAOAKDM1A
SCHEMBL452179 0.76 TSHR (0.46) TSHRMAOBCYP2A6MAOAKDM1A
SCHEMBL11328700 0.72 TSHR (0.60) TSHRMAOBCYP2A6MAOAKDM1A
SCHEMBL8345063 0.72 HTR2C (0.41) TSHRMAOBMAPTHTR2CSIGMAR1
SCHEMBL4132391 0.70 TSHR (0.50) TSHRMAOBCYP2A6MAOAKDM1A
SCHEMBL4132386 0.70 TSHR (0.50) TSHRMAOBCYP2A6MAOAKDM1A
SCHEMBL5713754 0.69 PNMT (0.37) KDM1AMAPTL3MBTL1HTR2C
SCHEMBL19926341 0.69 KDM1A (0.35) KDM1AACHECYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183249-A1 NEW TRIAZINOINDOLE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 US claimed
EP-3863711-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-08-18 EP claimed
EP-3802467-A1 SPIROCYCLIC COMPOUNDS C4 Therapeutics, Inc. (US) 2021-04-14 EP claimed
EP-3475262-B1 BICYCLIC IMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RENAL DISEASE, CARDIOVASCULAR DISEASES AND FIBROTIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2021-03-24 EP claimed
EP-3781162-A1 EP4 INHIBITORS AND USE THEREOF Arrys Therapeutics, Inc. (US) 2021-02-24 EP claimed
EP-3749650-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO Pharma (FR) 2020-12-16 EP claimed
WO-2019204257-A1 EP4 INHIBITORS AND USE THEREOF Arrys Therapeutics, Inc. (US) 2019-10-24 WO claimed
WO-2019154956-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 WO claimed
CN-1694870-A Acetyl 2-hydroxy-1, 3-diaminoalkanes PHARMACIA & UPJOHN CO LLC (US) 2005-11-09 CN claimed
CN-1198839-C Novel dipeptide amidines as thrombin inhibitors AIBET GMBH & CO KG (DE) 2005-04-27 CN claimed
CN-1175953-A Novel dipeptide amidines as thrombin inhibitors BASF AG (DE) 1998-03-11 CN claimed
CN-118271341-A Menin inhibitors and uses thereof 成都先导药物开发股份有限公司 2024-07-02 CN disclosed
US-20240199619-A1 WEE1 INHIBITOR AND USE THEREOF JIANGSU TASLY DIYI PHARMACEUTICAL CO., LTD. (CN) 2024-06-20 US disclosed
CN-115197196-B TYK2 inhibitor and application thereof 扬子江药业集团有限公司 2024-06-18 CN disclosed
CN-118176192-A Degradation agent and application thereof 成都先导药物开发股份有限公司 2024-06-11 CN disclosed
CN-1735408-A Receptor function controlling agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-15 CN disclosed
CN-1198839-C Novel dipeptide amidines as thrombin inhibitors AIBET GMBH & CO KG (DE) 2005-04-27 CN disclosed
CN-1175953-A Novel dipeptide amidines as thrombin inhibitors BASF AG (DE) 1998-03-11 CN disclosed
CN-1015259-B PREPARATION OF PERHYDROTHIAZEPINE DERIVATIVE SANKYO CO (JP) 1992-01-01 CN disclosed
CN-85107472-A The preparation method of perhydrothiazepine derivative 1987-05-20 CN 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 (2 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-20230183249-A1 NEW TRIAZINOINDOLE COMPOUNDS NLRP3, NLRP1, PYCARD TSHR 2360/4885MAOB 1327/4885CYP2A6 2890/4885
US-20240199619-A1 WEE1 INHIBITOR AND USE THEREOF WEE1, WEE2, PPME1 TSHR 4429/4885MAOB 3997/4885CYP2A6 3079/4885

“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.