SCHEMBL1340795

SCHEMBL1340795

Cc1cccc(-c2sccc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2cccc3nc(C)oc23)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.51
HCRTR2 O43614 8/20 0.51
ESR1 P03372 1/20 0.42
MAPT P10636 1/20 0.42
MAPK10 P53779 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.34
TSHR P16473 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
SCHEMBL1338172 0.92 HCRTR1 (0.49) HCRTR1HCRTR2ESR1MAPTMAPK10
SCHEMBL3415069 0.89 HCRTR1 (0.45) HCRTR1HCRTR2ESR1MAPTMAPK10
SCHEMBL1338286 0.88 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1341324 0.88 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1340421 0.86 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL1340759 0.85 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL1340390 0.85 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL1338369 0.84 HCRTR1 (0.49) HCRTR1HCRTR2ALDH1A1NPC1TSHR
SCHEMBL1338375 0.84 HCRTR1 (0.49) HCRTR1HCRTR2ALDH1A1NPC1TSHR
SCHEMBL1338296 0.84 HCRTR1 (0.57) 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 2 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

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 2/4885ESR1 529/4885

“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.