SCHEMBL3975427

SCHEMBL3975427

Cc1cccnc1-c1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.56
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
SQOR Q9Y6N5 1/20 0.50
TRPV1 Q8NER1 9/20 0.48
CNR2 P34972 1/20 0.46
METAP2 P50579 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
RIPK1 Q13546 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2477267 0.83 TRPV1 (0.62) CYP2A6NOS3NOS1NOS2TRPV1
SCHEMBL13834139 0.82 CYP2A6 (0.63) CYP2A6NOS3NOS1NOS2TRPV1
SCHEMBL32509667 0.81 CYP2A6 (0.68) CYP2A6NOS3NOS1NOS2TRPV1
SCHEMBL64623 0.81 CYP2A6 (0.68) CYP2A6NOS3NOS1NOS2TRPV1
SCHEMBL30211243 0.80 CYP2A6 (0.56) CYP2A6SQORTRPV1CNR2METAP2
SCHEMBL3974637 0.80 CYP2A6 (0.56) CYP2A6NOS3NOS1NOS2TRPV1
SCHEMBL1259263 0.80 CYP2A6 (0.56) CYP2A6SQORTRPV1CNR2METAP2
SCHEMBL10094698 0.80 TRPV1 (0.64) CYP2A6NOS3NOS1NOS2TRPV1
SCHEMBL7068186 0.80 CYP2A6 (0.56) CYP2A6TRPV1CNR2METAP2RAB9A
SCHEMBL27621754 0.80 CYP2A6 (0.56) CYP2A6NOS3NOS1NOS2TRPV1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4734979-A2 TMEM175 AGONISTS, COMPOSITIONS, AND METHODS OF USE Caraway Therapeutics, Inc. (US) 2026-05-06 EP disclosed
WO-2025006723-A2 TMEM175 AGONISTS, COMPOSITIONS, AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2025-01-02 WO disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11031562-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
US-11031562-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-3341385-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-03-11 EP disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
US-20180254416-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-09-06 US disclosed
WO-2017032439-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-03-02 WO disclosed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO 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 (6 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 CYP2A6 953/4885NOS3 254/4885NOS1 198/4885
US-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 CYP2A6 3946/4885NOS3 3316/4885NOS1 3892/4885
US-11031562-B2 Metal complexes AP1M1, SOD1, AP3M1 CYP2A6 4026/4885NOS3 3240/4885NOS1 3799/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 CYP2A6 3946/4885NOS3 3316/4885NOS1 3892/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 CYP2A6 3946/4885NOS3 3316/4885NOS1 3892/4885
US-20180254416-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 CYP2A6 4026/4885NOS3 3240/4885NOS1 3799/4885

“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.