SCHEMBL3993448

SCHEMBL3993448

Cc1c(C)n(C(N)=O)c2c(Nc3cccc(Cl)c3)ncc(C(=O)OCC3CCC3)c12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 16/20 0.43
▸ CNR1 P21554 4/20 0.42
▸ CYP3A4 P08684 5/20 0.41
▸ CYP2C9 P11712 5/20 0.41
▸ CYP2C19 P33261 5/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ MAPT P10636 1/20 0.39
▸ EPHX1 P07099 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.37

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
SCHEMBL3990908 0.86 CNR2 (0.49) CNR2CNR1CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3990784 0.86 CNR2 (0.48) CNR2CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL3993460 0.82 CNR2 (0.42) CNR2CNR1CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3996591 0.81 HTR4 (0.35) CNR2
Hydrochloric Acid SCHEMBL3996161 0.73 EGFR (0.46) CNR2CNR1CYP2C9CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL3988864 0.70 CNR2 (0.49) CNR2CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL3415849 0.70 CNR2 (0.73) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL14996833 0.69 MAPT (0.53) CNR2MAPTSIRT5
SCHEMBL5046083 0.69 CNR2 (0.73) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3993442 0.68 CNR2 (0.65) CNR2CNR1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 — — US disclosed
EP-1753764-B1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2008-10-29 — — EP disclosed
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 — — US disclosed
EP-1753764-A1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-02-21 — — EP disclosed
WO-2005121140-A1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-22 — — 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-20070219229-A1 Pyrrolopyridine Derivatives CNR2, CNR1, TRPV1 CNR2 1/4885CNR1 2/4885CYP3A4 1521/4885

“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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