SCHEMBL13692196

SCHEMBL13692196

O=C(c1cnc(Nc2cccc(Cl)c2)c2cc[nH]c12)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.68
CNR1 P21554 7/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C9 P11712 2/20 0.68
CYP2C19 P33261 2/20 0.68
CYP1A2 P05177 1/20 0.68
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
TTBK1 Q5TCY1 1/20 0.47
TTBK2 Q6IQ55 1/20 0.47
NTRK1 P04629 1/20 0.46
POLB P06746 1/20 0.45

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
Formic Acid SCHEMBL3990258 0.96 CNR2 (0.64) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL3990560 0.93 CNR2 (0.70) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL14040883 0.90 CNR2 (0.54) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL12501158 0.85 CNR2 (0.73) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL14611304 0.85 CNR2 (0.68) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL12476889 0.83 CNR2 (0.69) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL3996140 0.82 TTBK1 (0.56) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL5141508 0.81 CNR2 (0.59) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL12476208 0.81 CNR2 (0.73) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL3990667 0.81 CNR2 (1.00) 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 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
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

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.