SCHEMBL5368909

SCHEMBL5368909

Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccccc3C2)cn1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.73
HTR2B P41595 19/20 0.73
HTR2A P28223 14/20 0.63
NPC1 O15118 1/20 0.61
MTOR P42345 1/20 0.61
RAB9A P51151 1/20 0.61
CYP2C9 P11712 1/20 0.59
HTR6 P50406 1/20 0.59

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
SCHEMBL6312109 0.95 HTR2C (0.77) HTR2CHTR2BHTR2ANPC1MTOR
SCHEMBL6304067 0.85 HTR2C (0.76) HTR2CHTR2BHTR2ANPC1MTOR
SCHEMBL5362236 0.83 HTR2C (0.66) HTR2CHTR2BHTR2ANPC1MTOR
SCHEMBL23709316 0.83 RAB9A (0.69) NPC1RAB9A
SCHEMBL6304598 0.83 HTR2C (0.78) HTR2CHTR2BHTR2ANPC1MTOR
SCHEMBL6305003 0.83 HTR2C (0.61) HTR2CHTR2BHTR2ANPC1MTOR
SCHEMBL5368515 0.81 HTR2C (0.89) HTR2CHTR2BHTR2ANPC1MTOR
SCHEMBL6305416 0.79 HTR2C (0.55) HTR2CHTR2BHTR2ANPC1RAB9A
SCHEMBL5362705 0.79 HTR2C (0.60) HTR2CHTR2BHTR2ANPC1MTOR
SCHEMBL6307814 0.79 HTR2C (0.55) HTR2CHTR2BHTR2ANPC1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291738-B2 Therapeutic compounds PHARMACIA & UPJOHN COMPANY (US) 2007-11-06 US claimed
US-20030181485-A1 A (2-methyl-3-pyridinyl)oxy)-3-pyridinyl)urea derivatives for treatment of a disease or disorder of the central nervous system, medical diagnosis PHARMACIA & UPJOHN COMPANY 2003-09-25 US claimed
US-7291738-B2 Therapeutic compounds PHARMACIA & UPJOHN COMPANY (US) 2007-11-06 US disclosed
US-7291738-B2 Therapeutic compounds PHARMACIA & UPJOHN COMPANY (US) 2007-11-06 US disclosed
US-7291738-B2 Therapeutic compounds PHARMACIA & UPJOHN COMPANY (US) 2007-11-06 US disclosed
EP-1485386-A2 PYRIDINYLOXY DERIVATIVES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-12-15 EP disclosed
US-20030181485-A1 A (2-methyl-3-pyridinyl)oxy)-3-pyridinyl)urea derivatives for treatment of a disease or disorder of the central nervous system, medical diagnosis PHARMACIA & UPJOHN COMPANY 2003-09-25 US disclosed
WO-2003076426-A2 PYRIDINYLOXY DERIVATIVES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-09-18 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-20030181485-A1 A (2-methyl-3-pyridinyl)oxy)-3-pyridinyl)urea derivatives for treatment of a disease or disorder of the central nervous system, medical diagnosis PMP22, TPMT, PNPO HTR2C 180/4885HTR2B 922/4885HTR2A 589/4885

“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.