SCHEMBL5865586

SCHEMBL5865586

O=C1[C@@H]2[C@@H]3CC[C@@H](C3)N2C(=O)N1c1ccc(Cl)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.71
POLB P06746 1/20 0.35
GRM4 Q14833 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32

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
SCHEMBL5865595 1.00 AR (0.71) ARPOLBGRM4HCAR1CYP1A2
SCHEMBL6211148 1.00 AR (0.71) ARPOLBGRM4HCAR1CYP1A2
SCHEMBL5865592 1.00 AR (0.71) ARPOLBGRM4HCAR1CYP1A2
SCHEMBL13964673 1.00 AR (0.71) ARPOLBGRM4HCAR1CYP1A2
SCHEMBL5865677 0.85 AR (0.71) AR
SCHEMBL5865668 0.85 AR (0.71) AR
SCHEMBL5865672 0.85 AR (0.71) AR
SCHEMBL13964575 0.85 AR (0.71) AR
SCHEMBL5865675 0.85 AR (0.71) AR
SCHEMBL4040772 0.85 AR (0.71) AR

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
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US claimed
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-22 US claimed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US claimed

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-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 AR 43/4885POLB 2511/4885GRM4 128/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 AR 43/4885POLB 2511/4885GRM4 128/4885

“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.