SCHEMBL10101653

SCHEMBL10101653

[C-]#[N+]c1ccc(Cn2cncc2CN2CCc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.46
FNTB P49356 11/20 0.46
TAAR1 Q96RJ0 2/20 0.44
TRPM5 Q9NZQ8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CYP11B1 P15538 1/20 0.38

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
SCHEMBL7744106 0.82 FNTA (0.60) FNTAFNTBCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7746020 0.81 FNTA (0.59) FNTAFNTBCYP11B1CYP11B2
SCHEMBL8480547 0.76 FNTA (0.58) FNTAFNTBCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7744123 0.75 FNTA (0.57) FNTAFNTBCYP11B1CYP11B2
SCHEMBL10101654 0.71 KMT2A (0.50) CDK4CCND1KMT2AHDAC1HDAC6
SCHEMBL7738201 0.71 FNTA (0.49) FNTAFNTBCYP11B1CYP11B2
SCHEMBL9090521 0.68 TAAR1 (0.48) FNTAFNTBTAAR1TRPM5ALDH1A1
SCHEMBL9501323 0.68 ALDH1A1 (0.58) TAAR1TRPM5ALDH1A1ALOX15MEN1
SCHEMBL12544753 0.68 CYP11B1 (0.72) CYP11B1CYP11B2
SCHEMBL29558 0.67 ALDH1A1 (0.66) TAAR1TRPM5ALDH1A1ALOX15MEN1

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-20120028940-A1 FUNCTIONALLY SELECTIVE AZANITRILE ALPHA-2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2012-02-02 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-20120028940-A1 FUNCTIONALLY SELECTIVE AZANITRILE ALPHA-2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRA2A FNTA 1666/4885FNTB 1724/4885TAAR1 51/4885

“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.