SCHEMBL6310066

SCHEMBL6310066

CCC(CC)Oc1cc(C)nc2c1c(=O)[nH]c(=O)n2-c1c(C)cc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PSMD14 O00487 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5845360 0.87 CRHR1 (0.46) CRHR1
SCHEMBL6305556 0.81 CRHR1 (0.45) CRHR1
SCHEMBL5843511 0.76 CRHR1 (0.50) CRHR1
SCHEMBL6310594 0.76 CRHR1 (0.46) CRHR1
SCHEMBL5845650 0.73 CRHR1 (0.39) CRHR1
SCHEMBL5844199 0.73 CRHR1 (0.47) CRHR1
SCHEMBL5611393 0.69 CRHR1 (0.52) CRHR1
SCHEMBL5843198 0.69 CRHR1 (0.48) CRHR1
SCHEMBL5611294 0.67 CRHR1 (0.44) CRHR1
SCHEMBL6398386 0.67 CRHR1 (0.44) CRHR1

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
EP-0925298-B1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER (US) 2004-04-14 EP claimed
US-20030114671-A1 Substituted6,6-hetero-bicyclicderivatives CHEN YUHPYNG L (US) 2003-06-19 US claimed
US-6875769-B2 Substituted6,6-hetero-bicyclicderivatives PFIZER INC. (US) 2005-04-05 US disclosed
EP-0925298-B1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER (US) 2004-04-14 EP disclosed
US-20030114671-A1 Substituted6,6-hetero-bicyclicderivatives CHEN YUHPYNG L (US) 2003-06-19 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 (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-20030114671-A1 Substituted6,6-hetero-bicyclicderivatives CYP2D6, CYP2B6, CYP2A6 CRHR1 2119/4885MEN1 1562/4885KMT2A 2075/4885

“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.