SCHEMBL5202231

SCHEMBL5202231

CC1CCCCN1CCCNC(=O)CN(CCOc1ccc(-n2ccnc2)cc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 18/20 0.52
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOS1 P29475 2/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5204696 0.87 CYP1A2 (0.46) NOS2NOS1CYP1A2CYP2D6CYP2C9
SCHEMBL5203119 0.83 NOS2 (0.49) NOS2ALDH1A1HPGDNOS1TSHR
SCHEMBL5201968 0.81 NOS2 (0.53) NOS2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL5205379 0.78 MEN1 (0.44) NOS2ALDH1A1HPGDTSHR
SCHEMBL5206004 0.77 NOS2 (0.50) NOS2NOS1CYP1A2CYP2D6CYP2C9
SCHEMBL5204903 0.77 NOS2 (0.58) NOS2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5202553 0.69 NOS2 (1.00) NOS2
SCHEMBL5202697 0.68 NOS2 (0.58) NOS2NOS1CYP1A2CYP2D6CYP2C9
SCHEMBL5201896 0.67 NOS2 (1.00) NOS2
SCHEMBL10573129 0.65 HTR2A (0.48) CYP1A2CYP2D6CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202263-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2007-04-10 US claimed
EP-1501504-B1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2007-02-07 EP claimed
US-20060094725-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-04 US claimed
US-20040023950-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-05 US claimed
EP-1795192-A2 1-Substituted imidazole derivatives as nos inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2007-06-13 EP disclosed
US-7202263-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2007-04-10 US disclosed
EP-1501504-B1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2007-02-07 EP disclosed
US-20060094725-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
US-6982259-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-01-03 US disclosed
US-20040023950-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-05 US 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-20060094725-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 427/4885HPGD 39/4885
US-20040023950-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885ALDH1A1 367/4885HPGD 30/4885

“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.