SCHEMBL19711237

SCHEMBL19711237

Cc1cccc(N2CCC(N(C)C(=O)c3ccco3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.53
NPY5R Q15761 1/20 0.53
PIK3CD O00329 1/20 0.49
NOTUM Q6P988 1/20 0.47
OPRM1 P35372 5/20 0.46
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
CXCR4 P61073 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CACNA2D1 P54289 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL19702020 0.86 CCR5 (0.58) CCR5NPY5RPIK3CDNOTUMOPRM1
SCHEMBL19658391 0.80 NPY5R (0.60) NPY5RNOTUMMAPTGPR119ALDH1A1
SCHEMBL19652189 0.77 NPY5R (0.57) CCR5NPY5RNOTUMGPR119ALDH1A1
SCHEMBL19710726 0.74 NPY5R (0.62) CCR5NPY5RPIK3CDNOTUMGPR119
SCHEMBL17754015 0.74 ADRB1 (0.56) NPY5RNOTUMMAPTGPR119ALDH1A1
SCHEMBL19711004 0.74 NPY5R (0.52) NPY5RPIK3CDNOTUMGPR119FFAR4
SCHEMBL19658393 0.74 NPY5R (0.53) CCR5NPY5RNOTUMOPRM1GPR119
SCHEMBL19710460 0.73 NOTUM (0.60) NPY5RPIK3CDNOTUMGPR119ALDH1A1
SCHEMBL19710506 0.71 NPY5R (0.58) NPY5RPIK3CDNOTUMMAPTGPR119
SCHEMBL19658403 0.70 NPY5R (0.45) NPY5RPIK3CDOPRM1L3MBTL1TMEM97

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 2 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

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 CCR5 765/4885NPY5R 500/4885PIK3CD 14/4885

“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.