SCHEMBL17954602

SCHEMBL17954602

N#Cc1ccc2c(c1)-c1c(C#N)cccc1C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.42
KCNH2 Q12809 1/20 0.40
DRD2 P14416 4/20 0.38
DRD3 P35462 3/20 0.36
PNMT P11086 2/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 1/20 0.35
PDK2 Q15119 1/20 0.34
LAP3 P28838 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
NOTUM Q6P988 1/20 0.33
CXCR5 P32302 1/20 0.32

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
SCHEMBL11677346 0.90 TRPA1 (0.42) TRPA1KCNH2DRD2DRD3PNMT
SCHEMBL1036253 0.81 DRD2 (0.46) TRPA1KCNH2DRD2DRD3PNMT
SCHEMBL17954611 0.79 TRPA1 (0.38) TRPA1DRD2DRD3PNMTHTR2A
SCHEMBL11676256 0.78 PNMT (0.47) TRPA1DRD2DRD3PNMTHTR2A
SCHEMBL819087 0.78 KCNH2 (0.46) TRPA1KCNH2DRD2DRD3PNMT
SCHEMBL17242315 0.78 TRPA1 (0.51) TRPA1DRD2DRD3PNMTHTR2A
SCHEMBL23862771 0.76 KCNH2 (0.41) KCNH2DRD2PDK2
SCHEMBL28084356 0.76 KCNH2 (0.44) TRPA1KCNH2DRD2LAP3MAOA
SCHEMBL2355804 0.74 SMN1; SMN2 (0.53) TRPA1DRD2DRD3PNMTHTR2A
SCHEMBL31441011 0.74 SMN1; SMN2 (0.53) TRPA1DRD2DRD3PNMTHTR2A

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-20160218300-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 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-20160218300-A1 Organic Electroluminescent Materials and Devices OCIAD2, OCIAD1, OSBP TRPA1 42/4885KCNH2 816/4885DRD2 522/4885

“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.