SCHEMBL7601783

SCHEMBL7601783

COc1ccc(N)cc1C(=O)NCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
LMNA P02545 4/20 0.50
ADORA2A P29274 1/20 0.48
DNMT3A Q9Y6K1 1/20 0.48
SMPD1 P17405 1/20 0.47
ALDH1A1 P00352 4/20 0.46
NLRP3 Q96P20 1/20 0.46
ADRA2A P08913 3/20 0.46
CYP2D6 P10635 3/20 0.46
DRD3 P35462 3/20 0.46
DRD2 P14416 2/20 0.46
HTR2B P41595 2/20 0.46
KCNH2 Q12809 2/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
STAT6 P42226 1/20 0.46
BLM P54132 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL13733997 0.88 ALDH1A1 (0.58) HTR2ALMNAADORA2ASMPD1ALDH1A1
SCHEMBL7566156 0.87 HTR2A (0.51) HTR2ALMNADNMT3AALDH1A1NLRP3
SCHEMBL19445612 0.85 HTR2A (0.49) HTR2ALMNADNMT3AALDH1A1NLRP3
SCHEMBL12041021 0.83 NLRP3 (0.48) HTR2ALMNADNMT3ANLRP3ADRA2A
SCHEMBL9122129 0.82 LMNA (0.74) LMNADNMT3AALDH1A1NLRP3HDAC1
SCHEMBL1505485 0.82 LMNA (0.50) LMNAADORA2ADNMT3ASMPD1ALDH1A1
SCHEMBL19445617 0.82 KDM4E (0.51) HTR2ALMNADNMT3AALDH1A1KDM4E
SCHEMBL12515503 0.81 LMNA (0.49) HTR2ALMNADNMT3AALDH1A1NLRP3
SCHEMBL11544355 0.81 ALDH1A1 (0.49) HTR2AALDH1A1CYP2C9TSHRBLM
SCHEMBL23243065 0.80 ALDH1A1 (0.45) HTR2AADORA2AALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002543183-A 2002-12-17 JP claimed
EP-1175398-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS American Home Products Corporation (US) 2002-01-30 EP claimed
WO-2000066556-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO claimed
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 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 (1 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-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 HTR2A 1149/4885LMNA 1976/4885ADORA2A 1157/4885

“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.