SCHEMBL25860487

SCHEMBL25860487

NC(=O)OC[C@H]1CC[C@H](c2ccc(Br)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SLC6A3 Q01959 2/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
KDM1A O60341 5/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 1/20 0.35
KCNH2 Q12809 2/20 0.34
RCOR1 Q9UKL0 2/20 0.34
KDM1B Q8NB78 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL25860508 1.00 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTSLC6A3
SCHEMBL23368653 1.00 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTSLC6A3
SCHEMBL20813121 0.82 ALDH1A1 (0.39) CYP2C9ALDH1A1LMNAMAPTSLC6A3
SCHEMBL20813086 0.82 ALDH1A1 (0.39) CYP2C9ALDH1A1LMNAMAPTSLC6A3
SCHEMBL23368628 0.77 TDP1 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13205401 0.77 KDM1A (0.37) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL23368823 0.76 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL23368604 0.75 ESR2 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20813129 0.75 ESR2 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20813149 0.75 ESR2 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701373-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-18 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-11701373-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 CYP2C9 3883/4885ALDH1A1 1696/4885LMNA 2847/4885

“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.