SCHEMBL2928071

SCHEMBL2928071

Cc1nc(C(=O)N2C[C@H]3C[C@H]3[C@H]2C(N)=O)c(-c2ccccc2C)s1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.46
HCRTR2 O43614 20/20 0.46
TSPO P30536 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL3413929 1.00 HCRTR1 (0.46) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3413926 1.00 HCRTR1 (0.46) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3412050 1.00 HCRTR1 (0.46) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3415370 0.92 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2928163 0.90 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3417963 0.90 HCRTR1 (0.55) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2924769 0.90 HCRTR1 (0.55) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2929909 0.88 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3418137 0.88 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL3413154 0.88 HCRTR1 (0.49) 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
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP claimed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US claimed
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 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-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 HCRTR1 1/4885HCRTR2 2/4885TSPO 1712/4885

“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.