SCHEMBL10163852

SCHEMBL10163852

Cc1ccc(-c2cc(C#N)cc(N3CCCC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.50
HRH3 Q9Y5N1 2/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2C P18825 1/20 0.50
HTR1D P28221 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
KMT2A Q03164 1/20 0.49
PRKD1 Q15139 3/20 0.47
PRKD2 Q9BZL6 3/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
EGLN2 Q96KS0 1/20 0.45

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
SCHEMBL893459 0.83 HRH4 (0.45) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL17462008 0.80 ALDH1A1 (0.52) KMT2AALDH1A1HPGDKDM4ENPC1
SCHEMBL16014446 0.80 GALR2 (0.46) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL31420881 0.78 CASP1 (0.48) HRH4KMT2AALDH1A1HPGDKDM4E
SCHEMBL10163853 0.75 KMT2A (0.49) HRH4KMT2AALDH1A1HPGDKDM4E
SCHEMBL31421420 0.75 EGLN2 (0.44) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL13111301 0.74 KMT2A (0.55) HRH4KMT2AALDH1A1HPGDKDM4E
SCHEMBL16013236 0.72 NPC1 (0.50) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL893782 0.71 EGLN2 (0.43) HRH4KMT2AALDH1A1HPGDKDM4E
SCHEMBL11485030 0.71 KDM4E (0.48) KMT2AALDH1A1HPGDKDM4EHSD17B10

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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 HRH4 9/4885HRH3 32/4885HTR1A 199/4885

“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.