SCHEMBL12475748

SCHEMBL12475748

Cc1ccc(-n2ccnn2)c(C(=O)O)n1.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.55
HCRTR2 O43614 10/20 0.55
NOTUM Q6P988 5/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CHRNB2 P17787 1/20 0.35
CYP2B6 P20813 1/20 0.35
MAOA P21397 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
MYC P01106 1/20 0.34

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
SCHEMBL18588653 0.98 HCRTR1 (0.56) HCRTR1HCRTR2NOTUMPTGDR2CYP1A2
SCHEMBL12475754 0.97 HCRTR1 (0.55) HCRTR1HCRTR2NOTUMPTGDR2CYP1A2
SCHEMBL3687324 0.85 HCRTR1 (0.55) HCRTR1HCRTR2NOTUMPTGDR2CYP1A2
SCHEMBL12475749 0.84 HCRTR1 (0.54) HCRTR1HCRTR2NOTUMPTGDR2CYP1A2
SCHEMBL262384 0.78 HCRTR2 (0.45) HCRTR1HCRTR2
SCHEMBL31175345 0.78 HCRTR2 (0.45) HCRTR1HCRTR2
SCHEMBL2497920 0.77 RAB9A (0.49) HCRTR1HCRTR2CYP2C9CYP2C19
SCHEMBL15984728 0.76 NOTUM (0.47) HCRTR1HCRTR2NOTUMCYP1A2CYP2C9
SCHEMBL20774394 0.76 HCRTR1 (0.44) HCRTR1HCRTR2NOTUMPTGDR2CYP2C9
SCHEMBL13735961 0.75 HCRTR2 (0.51) HCRTR1HCRTR2

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-9586962-B2 Disubstituted octahydropyrrolo [3,4-C] pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-03-07 US disclosed
US-20140171430-A1 DISUBSTITUTED OCTAHYDROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-19 US disclosed
WO-2012145581-A1 DISUBSTITUTED OCTAHY-DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-26 WO disclosed
WO-2012089606-A1 AZABICYCLO [4.1.0] HEPT - 4 - YL DERIVATIVES AS HUMAN OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-07-05 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-20140171430-A1 DISUBSTITUTED OCTAHYDROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885NOTUM 3681/4885

“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.