SCHEMBL19702012

SCHEMBL19702012

CC(=O)N1CC2CN(c3cccc(C(C)C)c3)CC2C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.55
HRH3 Q9Y5N1 1/20 0.40
ADAM10 O14672 1/20 0.40
PANK3 Q9H999 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ACACB O00763 6/20 0.39
CCR5 P51681 1/20 0.39
USP9X Q93008 1/20 0.39
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL19710919 0.81 NOTUM (0.52) NOTUMHCRTR1HCRTR2
SCHEMBL19701977 0.81 NOTUM (0.56) NOTUMADAM10PANK3USP2CYP1A2
SCHEMBL19702011 0.81 NOTUM (0.51) NOTUMHRH3USP9X
SCHEMBL19701944 0.81 NOTUM (0.52) NOTUMHRH3ADAM10SMN1; SMN2HPGD
SCHEMBL19701956 0.81 NOTUM (0.55) NOTUMHRH3ADAM10PANK3ACACB
SCHEMBL19701958 0.80 NOTUM (0.55) NOTUMHRH3ADAM10PANK3ACACB
SCHEMBL19702015 0.80 NOTUM (0.50) NOTUMHRH3ADAM10PIK3CD
SCHEMBL19702010 0.79 NOTUM (0.50) NOTUMHRH3USP9XUSP2CYP1A2
SCHEMBL17197316 0.79 ADRB1 (0.47) HCRTR1HCRTR2CYP1A2SMN1; SMN2
SCHEMBL17197239 0.79 ADRB1 (0.47) HCRTR1HCRTR2CYP1A2SMN1; SMN2

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
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US 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 NOTUM 3221/4885HRH3 61/4885ADAM10 4793/4885

“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.