SCHEMBL3993441

SCHEMBL3993441

Cn1ccc2c(Nc3ccc(F)c(Cl)c3)ncc(C(=O)N3CCCCC3)c21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.64
CNR1 P21554 3/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EGFR P00533 4/20 0.47
GRM5 P41594 2/20 0.46
ERBB2 P04626 2/20 0.44
ERBB4 Q15303 2/20 0.44
JAK3 P52333 1/20 0.44
TDO2 P48775 1/20 0.44
CSF1R P07333 2/20 0.43

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
Hydrochloric Acid SCHEMBL3987749 0.99 CNR2 (0.63) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL13692153 0.99 CNR2 (0.65) CNR2CNR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3988653 0.98 CNR2 (0.64) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL13692088 0.92 CNR2 (0.61) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL13691903 0.91 CNR1 (0.77) CNR2CNR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3990528 0.91 CNR2 (0.61) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL13692157 0.91 CNR2 (0.65) CNR2CNR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3992692 0.90 CNR1 (0.76) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL13692125 0.90 CNR1 (0.61) CNR2CNR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3988849 0.90 CNR2 (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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 US claimed
EP-1753764-B1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2008-10-29 EP claimed
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 US claimed
CN-101001859-A Pyrrolopyridine derivatives GLAXO GROUP LTD (GB) 2007-07-18 CN claimed
EP-1753764-A1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-02-21 EP claimed
WO-2005121140-A1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-22 WO claimed
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
CN-101001859-A Pyrrolopyridine derivatives GLAXO GROUP LTD (GB) 2007-07-18 CN 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.