SCHEMBL19702014

SCHEMBL19702014

CC(C)c1cccc(N2CC3CN(C4CCC4)CC3C2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.49
HRH3 Q9Y5N1 1/20 0.40
POLB P06746 1/20 0.40
PIK3CD O00329 1/20 0.37
TSHR P16473 1/20 0.36
MBTD1 Q05BQ5 2/20 0.36
L3MBTL3 Q96JM7 2/20 0.36
GRM2 Q14416 1/20 0.35
KDM2B Q8NHM5 5/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
TP53BP1 Q12888 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
VCP P55072 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
SCHEMBL19710720 0.81 NOTUM (0.46) NOTUMHRH3PIK3CDTSHRKDM2B
SCHEMBL19702011 0.81 NOTUM (0.51) NOTUMHRH3GRM2
SCHEMBL19702015 0.80 NOTUM (0.50) NOTUMHRH3PIK3CDGRM2VCP
SCHEMBL19702010 0.79 NOTUM (0.50) NOTUMHRH3PIK3CDGRM2
SCHEMBL26498532 0.78 NOTUM (0.55) NOTUMHRH3GRM2OPRM1OPRD1
SCHEMBL22055865 0.77 L3MBTL3 (0.53) NOTUMHRH3MBTD1L3MBTL3OPRM1
SCHEMBL24243095 0.77 NOTUM (0.54) NOTUMHRH3POLBTSHRMBTD1
SCHEMBL19702013 0.77 BPTF (0.57) NOTUMHRH3
SCHEMBL23510803 0.76 NOTUM (0.46) NOTUMHRH3MBTD1L3MBTL3OPRM1
SCHEMBL25752839 0.76 NOTUM (0.55) NOTUMHRH3TSHRGRM2

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 61/4885POLB 2011/4885

“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.