SCHEMBL13867988

SCHEMBL13867988

NC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CNCC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.43
▸ HTR2A P28223 3/20 0.40
▸ HTR2C P28335 3/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ LMNA P02545 6/20 0.40
▸ THRB P10828 4/20 0.40
▸ TP53 P04637 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CHEK2 O96017 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ SCN5A Q14524 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36

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
SCHEMBL13867827 0.87 GAA (0.46) IKBKBHTR2AHTR2CPARP1LMNA
SCHEMBL15247934 0.80 GAA (0.50) IKBKBLMNATHRBTP53MAPT
SCHEMBL1174056 0.77 THRB (0.49) LMNATHRBTP53POLB
SCHEMBL31706996 0.76 IKBKB (0.34) IKBKBHTR2AHTR2C
SCHEMBL1174703 0.76 TP53 (0.43) HTR2AHTR2CLMNATHRBTP53
SCHEMBL1174701 0.76 TP53 (0.43) HTR2AHTR2CLMNATHRBTP53
SCHEMBL1174122 0.76 CNR2 (0.56) LMNATHRBTP53POLB
SCHEMBL1174124 0.76 CNR2 (0.56) LMNATHRBTP53POLB
SCHEMBL15247950 0.74 CYP1A2 (0.43) PARP1THRBTP53POLBMAPT
SCHEMBL10025712 0.70 SCN9A (0.33) IKBKBHTR2AHTR2C

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-7517874-B2 Substituted imidazo[1,5-a][1,4]diazepines and imidazo[1,5-a]pyrazines as cannabinoid receptor agonists for the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-04-14 — — US disclosed
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-25 — — 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-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 IKBKB 783/4885HTR2A 550/4885HTR2C 135/4885

“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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