SCHEMBL5865623

SCHEMBL5865623

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

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.42
HTR6 P50406 2/20 0.35
HTT P42858 1/20 0.32
TSHR P16473 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
SCHEMBL5865627 1.00 AR (0.42) ARHTR6HTTTSHR
SCHEMBL5865622 1.00 AR (0.42) ARHTR6HTTTSHR
SCHEMBL13964571 0.85 AR (0.42) AR
SCHEMBL4044762 0.82 MAPT (0.45) ARHTTTSHR
SCHEMBL4044767 0.82 MAPT (0.45) ARHTTTSHR
SCHEMBL4037553 0.82 MAPT (0.45) ARHTTTSHR
SCHEMBL4039057 0.82 AR (0.64) AR
SCHEMBL4039071 0.82 AR (0.64) AR
SCHEMBL4043945 0.81 AR (0.64) ARHTT
SCHEMBL13964225 0.81 AR (0.64) ARHTT

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 4 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
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 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-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 AR 43/4885HTR6 3037/4885HTT 3767/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 AR 43/4885HTR6 3037/4885HTT 3767/4885

“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.