SCHEMBL19280276

SCHEMBL19280276

O=C(O)N1CCC(O)(c2cccc(Br)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.43
OPRL1 P41146 5/20 0.43
OPRM1 P35372 4/20 0.43
OPRD1 P41143 4/20 0.43
OPRK1 P41145 4/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HPGD P15428 1/20 0.42
CCR1 P32246 1/20 0.42
HSD11B1 P28845 1/20 0.41
PARP10 Q53GL7 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL15212343 0.84 ALDH1A1 (0.42) ALDH1A1TP53LMNAHPGD
SCHEMBL23852239 0.84 ALDH1A1 (0.43) ALDH1A1TP53OPRM1CA12CA1
SCHEMBL795975 0.82 ALDH1A1 (0.56) ALDH1A1LMNAOPRL1OPRM1OPRD1
SCHEMBL5373048 0.82 OPRM1 (0.60) ALDH1A1LMNAOPRL1OPRM1OPRD1
SCHEMBL2931056 0.82 OPRM1 (0.52) ALDH1A1LMNAOPRL1OPRM1OPRD1
SCHEMBL3441859 0.82 OPRM1 (0.60) ALDH1A1LMNAOPRL1OPRM1OPRD1
SCHEMBL3599347 0.81 HSD11B1 (0.44) ALDH1A1TP53OPRM1HPGDHSD11B1
SCHEMBL1427539 0.81 CA12 (0.57) ALDH1A1OPRL1OPRM1OPRD1OPRK1
SCHEMBL3494228 0.80 CA12 (0.49) ALDH1A1TP53OPRM1OPRD1CA12
SCHEMBL30820875 0.80 CHRNA1 (0.44) ALDH1A1TP53OPRL1OPRM1OPRD1

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
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-3209664-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-30 EP 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 ALDH1A1 3131/4885TP53 2045/4885LMNA 3651/4885

“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.