SCHEMBL13835544

SCHEMBL13835544

CN1Cc2c(CF)ncn2-c2ccc(Cl)cc2C1=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 13/20 0.81
GABRB3 P28472 13/20 0.81
GABRA5 P31644 13/20 0.81
GABRA1 P14867 11/20 0.81
GABRA3 P34903 11/20 0.81
GABRA2 P47869 11/20 0.81
GABRA6 Q16445 11/20 0.81
GABRA4 P48169 4/20 0.76
GABRB2 P47870 2/20 0.61
MEN1 O00255 1/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
GABRB1 P18505 1/20 0.48
CYP2C19 P33261 1/20 0.48
GABRE P78334 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL8238208 0.89 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL8238213 0.89 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL8235515 0.88 GABRG2 (0.81) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL17088108 0.86 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6847260 0.86 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL8238309 0.85 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL8235750 0.84 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL13835663 0.80 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL13353154 0.80 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL17088115 0.80 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA1GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9597342-B2 GABAergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2017-03-21 US disclosed
US-9597342-B2 GABAergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2017-03-21 US disclosed
US-9597342-B2 GABAergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2017-03-21 US disclosed
US-20150258128-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. 2015-09-17 US disclosed
US-20150258128-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. 2015-09-17 US disclosed
US-20150258128-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. 2015-09-17 US disclosed
US-9006233-B2 Gabaergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2015-04-14 US disclosed
US-9006233-B2 Gabaergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2015-04-14 US disclosed
US-9006233-B2 Gabaergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2015-04-14 US disclosed
US-20120295892-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. (US) 2012-11-22 US disclosed
US-20120295892-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. (US) 2012-11-22 US disclosed
US-20120295892-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES UWM RESEARCH FOUNDATION, INC. (US) 2012-11-22 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-20150258128-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES GABRA3, GABRA2, GABRB3 GABRG2 10/4885GABRB3 3/4885GABRA5 13/4885
US-20120295892-A1 GABAERGIC RECEPTOR SUBTYPE SELECTIVE LIGANDS AND THEIR USES GABRA3, GABRA2, GABRB3 GABRG2 10/4885GABRB3 3/4885GABRA5 13/4885

“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.