SCHEMBL20393643

SCHEMBL20393643

CCN1CCC(=O)N(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
BRD2 P25440 1/20 0.48
PIK3CD O00329 1/20 0.46
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
CHRNA7 P36544 1/20 0.35
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL6362566 0.83 BRD4 (0.43) BRD4BRD2PIK3CDPOLBKMT2A
SCHEMBL13607427 0.82 DRD2 (0.47) BRD4BRD2PIK3CDPOLBNPC1
SCHEMBL771636 0.81 BRD4 (0.46) BRD4BRD2PIK3CDPOLBNPC1
SCHEMBL13178389 0.80 GNAI3 (0.52) BRD4BRD2PIK3CDPOLB
SCHEMBL1156274 0.80 PIK3CD (0.62) BRD4BRD2PIK3CDKMT2AMEN1
SCHEMBL4661375 0.79 BRD4 (0.55) BRD4BRD2PIK3CDPOLBKMT2A
SCHEMBL16215111 0.78 POLB (0.46) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL23133704 0.78 BRD4 (0.43) BRD4BRD2PIK3CDPOLBKMT2A
SCHEMBL25664018 0.78 PIK3CD (0.70) BRD4BRD2PIK3CDKMT2AMEN1
SCHEMBL15697002 0.76 BRD4 (0.42) BRD4BRD2PIK3CDPOLBNPC1

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-10208021-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20180201603-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-07-19 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 (2 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-10208021-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors TFPI, TFPI2, KLKB1 BRD4 1380/4885BRD2 3166/4885PIK3CD 1552/4885
US-20180201603-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 BRD4 1380/4885BRD2 3166/4885PIK3CD 1552/4885

“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.