SCHEMBL3990652

SCHEMBL3990652

Cc1cn(C)c2c(Cl)ncc(C(=O)N3CCOCC3)c12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.63
CNR1 P21554 5/20 0.63
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HSP90AA1 P07900 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
BRD9 Q9H8M2 1/20 0.40

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
SCHEMBL3990707 0.83 CNR2 (0.49) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL5601173 0.78 CNR2 (0.45) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL3993498 0.78 CNR2 (1.00) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL3988980 0.78 CNR1 (0.39) CNR2CNR1LMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL3990544 0.78 CNR2 (0.98) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL3987318 0.77 CNR2 (0.71) CNR2CNR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3996521 0.76 CNR2 (0.70) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL12697384 0.76 PLAUR (0.53) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL4791767 0.76 CNR1 (0.47) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL3987827 0.75 CNR1 (0.64) CNR2CNR1CYP3A4CYP2D6CYP2C9

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 9 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
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 US disclosed
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
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 US 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.