SCHEMBL1340158

SCHEMBL1340158

Cc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2ccccc2F)s1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.63
HCRTR2 O43614 12/20 0.63
TSPO P30536 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL1339957 0.93 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1340973 0.89 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL1339926 0.89 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL3417830 0.88 HCRTR1 (0.49) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1340364 0.87 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1340054 0.86 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL496635 0.85 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL2445717 0.85 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL496424 0.85 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL1398735 0.85 HCRTR1 (0.65) HCRTR1HCRTR2TSPOOPRK1HTR2B

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-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 US claimed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 US claimed
US-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 US disclosed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 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-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 HCRTR1 1/4885HCRTR2 2/4885TSPO 1090/4885

“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.