SCHEMBL625935

SCHEMBL625935

CC(=CC#N)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.53
GABRG2 P18507 3/20 0.53
GABRB3 P28472 3/20 0.53
GABRB2 P47870 2/20 0.53
GABRB1 P18505 1/20 0.42
ALDH1A1 P00352 11/20 0.40
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.40
PKM P14618 2/20 0.40
ATM Q13315 2/20 0.40
NLRP1 Q9C000 1/20 0.40
NTSR1 P30989 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39

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
SCHEMBL625934 1.00 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL625933 1.00 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL16992768 0.81 MAPT (0.46) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL11761840 0.81 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL16992767 0.81 MAPT (0.46) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL25342763 0.81 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL16992765 0.81 MAPT (0.46) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL11763446 0.81 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL14189755 0.80 PDE4A (0.55) GABRA1GABRG2GABRB3GABRB2ALDH1A1
SCHEMBL8548467 0.80 PDE4A (0.49) GABRA1GABRG2GABRB3GABRB2GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017004025-A1 CONJUGATES OF CYSTEINE ENGINEERED ANTIBODIES IMMUNOGEN, INC. (US) 2017-01-05 WO disclosed
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 GABRA1 1334/4885GABRG2 1651/4885GABRB3 716/4885

“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.