SCHEMBL7790350

SCHEMBL7790350

CCc1cccc(C#N)c1CC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
TSHR P16473 5/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
AR P10275 1/20 0.37
HTR1A P08908 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM5A P29375 1/20 0.35
MCL1 Q07820 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8763180 0.90 GABRA1 (0.40) GABRA1GABRB2TSHRCA1CA2
SCHEMBL16771350 0.87 TSHR (0.46) TSHRCA1CA2ALDH1A1KDM5A
SCHEMBL16884620 0.86 GABRA1 (0.38) GABRA1GABRB2TSHRCA1CA2
SCHEMBL22447106 0.86 TSHR (0.36) GABRA1GABRB2TSHRARLMNA
SCHEMBL16953662 0.86 TSHR (0.36) GABRA1GABRB2TSHRCA1CA2
SCHEMBL16097833 0.86 GABRA1 (0.42) GABRA1GABRB2TSHRCA1CA2
SCHEMBL28799888 0.83 ESR2 (0.40) GABRA1GABRB2TSHRCA1CA2
SCHEMBL16959910 0.83 ALDH1A1 (0.37) TSHRARALDH1A1KDM5ANPSR1
SCHEMBL16960684 0.83 S1PR1 (0.38) GABRA1GABRB2TSHR
SCHEMBL28044154 0.83 GABRA1 (0.39) GABRA1GABRB2TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331704-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2023-10-19 US disclosed
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2021-03-25 US disclosed
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
EP-1150970-A1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2001-11-07 EP disclosed
WO-2000047572-A1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2000-08-17 WO disclosed
US-4136156-A HYDROGEN CYANIDE, HYDROGENATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-01-23 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 (3 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-20230331704-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME NR2E3, NR2E1, NR0B2 GABRA1 2476/4885GABRB2 3340/4885TSHR 2360/4885
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 GABRA1 293/4885GABRB2 876/4885TSHR 1871/4885
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, NLRP1 GABRA1 2922/4885GABRB2 2882/4885TSHR 4688/4885

“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.