SCHEMBL16744726

SCHEMBL16744726

CNCc1cc(N)ccc1C1(C#N)CC1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
Hydrochloric Acid SCHEMBL16737831 0.98 ACHE (0.30) ESR1ESR2GAAMAPTMAPK1
SCHEMBL31415503 0.72 MAPT (0.31) GAAMAPT
SCHEMBL30126248 0.72 CYP3A4 (0.42) ESR1ESR2GAAMAPTTSHR
SCHEMBL22089801 0.70 ALDH1A1 (0.36) ESR1ESR2GAAMAPTTSHR
SCHEMBL1708812 0.69 MAPT (0.39) GAAMAPTTSHRMAPK1HTT
SCHEMBL16744656 0.69 OPRM1 (0.38) GAAMAPT
SCHEMBL16767060 0.69 KDM1A (0.38)
SCHEMBL10061642 0.68 ALDH1A1 (0.48) GAAMAPTTSHRMAPK1HTT
SCHEMBL16737936 0.66 MAPT (0.37) GAAMAPTTSHRMAPK1HTT
SCHEMBL21417797 0.66 PRKCI (0.56) GAAMAPTTSHRMAPK1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 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-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 ESR1 3398/4885ESR2 1265/4885GAA 395/4885

“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.