SCHEMBL17952498

SCHEMBL17952498

C[C@H]1N(C)c2ccc(C#N)cc2N1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 6/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ G6PD P11413 2/20 0.37
▸ NOTUM Q6P988 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ FADS1 O60427 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL17952524 0.87 ALDH1A1 (0.43) TDP2CASP3HTR2AHTR2CHTR2B
SCHEMBL17952629 0.82 CASP3 (0.36) TDP2CASP3HTR2AHTR2CHTR2B
SCHEMBL17952377 0.82 AR (0.37) CASP3GABRA1GABRG2GABRB3GABRA5
SCHEMBL21688806 0.82 CASP3 (0.45) TDP2CASP3GABRA1GABRG2GABRB3
SCHEMBL17952266 0.82 GABRA1 (0.41) CASP3GABRA1GABRG2GABRB3GABRA5
SCHEMBL17952213 0.80 TDP2 (0.32) TDP2NOTUMTSHRDRD2FADS1
SCHEMBL17952253 0.80 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24714559 0.79 HTR7 (0.41) CASP3GABRA1GABRG2GABRB3GABRA5
SCHEMBL17169606 0.79 HTR7 (0.41) CASP3GABRA1GABRG2GABRB3GABRA5
SCHEMBL17952488 0.79 CASP3 (0.36) CASP3GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-07-28 — — 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-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 TDP2 1398/4885CASP3 1740/4885GABRA1 4070/4885

“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.

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