SCHEMBL13867827

SCHEMBL13867827

NC(=O)c1nc(-c2ccccc2)n2c1CNCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ HTR2A P28223 3/20 0.40
▸ HTR2C P28335 3/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ PARP1 P09874 2/20 0.39
▸ MAP2K3 P46734 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAP3K14 Q99558 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ BTK Q06187 2/20 0.38
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ PKM P14618 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
SCHEMBL15247934 0.92 GAA (0.50) GAAIKBKBMAP2K3MEN1CYP1A2
SCHEMBL13867988 0.87 IKBKB (0.43) HTR2AHTR2CIKBKBPARP1LMNA
SCHEMBL15247950 0.86 CYP1A2 (0.43) GAAPARP1MEN1CYP1A2CYP3A4
SCHEMBL1175538 0.82 GAA (0.48) GAAKDM4EADORA3ADORA2ATP53
SCHEMBL15247962 0.82 MAPT (0.52) GAAMEN1KMT2ALMNATP53
SCHEMBL1174265 0.81 GAA (0.42) GAAPARP1MEN1CYP1A2CYP3A4
SCHEMBL1174322 0.80 PIN1 (0.52) GAACYP1A2CYP3A4CYP2C9KDM4E
SCHEMBL1174174 0.79 GAA (0.54) GAAMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL31706996 0.79 IKBKB (0.34) HTR2AHTR2CIKBKBMEN1KMT2A
SCHEMBL1175868 0.78 GAA (0.47) GAAMEN1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170350-B1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS INC (US) 2013-09-11 — — EP disclosed
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 GAA 4090/4885HTR2A 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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