SCHEMBL6709846

SCHEMBL6709846

CCCn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.42
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KDM1A O60341 2/20 0.38
TRPA1 O75762 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
RCOR1 Q9UKL0 1/20 0.35
ROCK2 O75116 1/20 0.35
CNR1 P21554 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
GRM4 Q14833 1/20 0.34

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
SCHEMBL6711699 0.95 CNR2 (0.44) CNR2ALDH1A1TSHRHTTKDM1A
SCHEMBL6713883 0.94 CNR2 (0.46) CNR2ALDH1A1TSHRHTTTRPA1
SCHEMBL6914601 0.94 CNR2 (0.45) CNR2ALDH1A1TSHRHTTTRPA1
SCHEMBL6711776 0.93 ROCK2 (0.39) CNR2ALDH1A1TSHRHTTKDM1A
SCHEMBL6710046 0.92 HDAC3 (0.41) CNR2ALDH1A1TSHRHTTKDM1A
SCHEMBL6710330 0.89 CNR2 (0.39) CNR2ALDH1A1TSHRHTTKDM1A
SCHEMBL6711975 0.89 TRPA1 (0.46) KDM1ATRPA1ROCK2GRM4
SCHEMBL6710061 0.89 CNR2 (0.45) CNR2ALDH1A1TSHRHTTTRPA1
SCHEMBL6714431 0.88 ROCK1 (0.46) CNR2TSHRPTGDR2CNR1
SCHEMBL6709924 0.87 CNR2 (0.37) CNR2ALDH1A1TSHRHTTTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 CNR2 3985/4885ALDH1A1 123/4885TSHR 3901/4885

“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.