SCHEMBL13691968

SCHEMBL13691968

Cn1ccc2c(Nc3ccc(F)c(F)c3)ncc(C(=O)N3CCOCC3)c21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.75
CNR1 P21554 5/20 0.75
CYP2D6 P10635 3/20 0.75
CYP2C9 P11712 3/20 0.75
CYP2C19 P33261 3/20 0.75
CYP3A4 P08684 2/20 0.75
EPHX2 P34913 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
CSF1R P07333 1/20 0.40
CDK4 P11802 1/20 0.40
CDK6 Q00534 1/20 0.40
GRM4 Q14833 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
Hydrochloric Acid SCHEMBL3987379 0.99 CNR2 (0.74) CNR2CNR1CYP2D6CYP2C9CYP2C19
SCHEMBL13692008 0.93 CNR2 (0.70) CNR2CNR1CYP2D6CYP2C9CYP2C19
SCHEMBL13692023 0.92 CNR2 (0.69) CNR2CNR1CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3991369 0.92 CNR2 (0.69) CNR2CNR1CYP2D6CYP2C9CYP2C19
SCHEMBL13691972 0.92 CNR2 (0.72) CNR2CNR1CYP2D6CYP2C9CYP2C19
SCHEMBL13691903 0.92 CNR1 (0.77) CNR2CNR1CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3992692 0.91 CNR1 (0.76) CNR2CNR1CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3994523 0.91 CNR2 (0.71) CNR2CNR1CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3990551 0.91 CNR2 (0.68) CNR2CNR1CYP2D6CYP2C9CYP2C19
SCHEMBL13692088 0.90 CNR2 (0.61) CNR2CNR1CYP2D6CYP2C9CYP2C19

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 4 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-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 2/4885CYP2D6 1026/4885

“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.