SCHEMBL2428653

SCHEMBL2428653

CCCc1noc(N)c1C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2345949 0.82
SCHEMBL5156719 0.80 MAPK1 (0.36) MLYCDCYP1A2CYP2C9MAPK1RECQL
SCHEMBL27612498 0.76
SCHEMBL14923174 0.74 CYP1A2 (0.33) CYP1A2CYP2C9
SCHEMBL14072063 0.74 MLYCD (0.45) MLYCD
SCHEMBL27574974 0.72 KDM4E (0.36) KDM4ENOS3NOS1NOS2ALDH1A1
SCHEMBL14923170 0.71 CYP1A2 (0.32) CYP1A2CYP2C9MAPK1NPC1RAB9A
SCHEMBL11570115 0.70 HSP90AA1 (0.47) MAPK1NPC1RAB9AKDM4EPOLB
SCHEMBL17514350 0.69 MLYCD (0.40) MLYCDKDM4EALDH1A1
SCHEMBL402583 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367830-A1 1-OXA-8-AZASPIRO [4, 5] DECANE- 8 -CARBOXAMIDE COMPOUNDS AS FAAH INHIBITORS Pfizer Inc. (US) 2011-09-28 EP disclosed
US-20110230493-A1 1-OXA-8-Azaspiro [4,5] Decabe-8-Carboxamide Compounds as FAAH Inhibitors PFIZER INC. 2011-09-22 US disclosed
WO-2010058318-A1 1-OXA-8-AZASPIRO [4, 5 ] DECANE- 8 -CARBOXAMIDE COMPOUNDS AS FAAH INHIBITORS PFIZER INC. (US) 2010-05-27 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-20110230493-A1 1-OXA-8-Azaspiro [4,5] Decabe-8-Carboxamide Compounds as FAAH Inhibitors FAAH, FAAH2, FFAR1 MLYCD 3774/4885CYP1A2 346/4885CYP2C9 915/4885

“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.