SCHEMBL4711526

SCHEMBL4711526

Cc1nnc(N2C3CCC2CC(n2c(C)nc4ccncc42)C3)n1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 12/20 0.44
KCNH2 Q12809 7/20 0.44
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
AOC2 O75106 1/20 0.38

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
SCHEMBL4711525 1.00 AOC3 (0.44) AOC3KCNH2CYP11B1CYP11B2AOC2
SCHEMBL4902112 0.72 CYP11B2 (0.40) AOC3KCNH2CYP11B1CYP11B2
SCHEMBL4901357 0.72 CYP11B2 (0.38) AOC3KCNH2CYP11B1CYP11B2
SCHEMBL4902105 0.72 CYP11B2 (0.40) AOC3KCNH2CYP11B1CYP11B2
SCHEMBL4901353 0.72 CYP11B2 (0.38) AOC3KCNH2CYP11B1CYP11B2
SCHEMBL4903299 0.71 CCR5 (0.48)
SCHEMBL8258510 0.71 CCR5 (0.38) AOC3KCNH2CYP11B1CYP11B2
SCHEMBL8255904 0.70 CYP11B2 (0.36) AOC3KCNH2CYP11B1CYP11B2
SCHEMBL4011538 0.70 CCR5 (0.42) AOC3KCNH2CYP11B2
SCHEMBL6167230 0.70 CCR5 (0.42) AOC3KCNH2CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US claimed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 EP disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 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-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AOC3 145/4885KCNH2 78/4885CYP11B1 334/4885

“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.