SCHEMBL20813129

SCHEMBL20813129

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.55
ESR1 P03372 6/20 0.55
CYP2C9 P11712 3/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 1/20 0.49
SLC18A3 Q16572 2/20 0.40
KDM1A O60341 5/20 0.38
KCNH2 Q12809 2/20 0.38
MAOB P27338 2/20 0.38
RCOR1 Q9UKL0 2/20 0.38
KDM1B Q8NB78 1/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL20813149 1.00 ESR2 (0.55) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL23368604 1.00 ESR2 (0.55) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL7888319 0.89 ESR2 (0.69) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL24495217 0.86 ESR2 (0.46) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL14140579 0.81 ESR2 (0.55) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL7184307 0.81 ESR2 (0.55) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL20739607 0.81 ESR2 (0.55) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL10692927 0.81 ESR2 (0.55) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL7184310 0.81 ESR2 (0.55) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL8029813 0.81 SLC18A3 (0.56) ESR2ESR1CYP2C9CYP3A4CYP2D6

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-11701373-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-18 US disclosed
US-10709719-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-14 US disclosed
US-20190076450-A1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-03-14 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 (3 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 ESR2 715/4885ESR1 1837/4885CYP2C9 3883/4885
US-10709719-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 ESR2 715/4885ESR1 1837/4885CYP2C9 3883/4885
US-20190076450-A1 SUBSTITUTED BICYCLIC COMPOUNDS S1PR1, S1PR3, S1PR2 ESR2 715/4885ESR1 1837/4885CYP2C9 3883/4885

“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.