SCHEMBL1339976

SCHEMBL1339976

Cc1ccc(-c2sccc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2cccc3c2CCO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.40
HCRTR2 O43614 7/20 0.39
MTNR1B P49286 3/20 0.35
MTNR1A P48039 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL1339285 0.92 HCRTR1 (0.46) HCRTR1HCRTR2MTNR1BALDH1A1
SCHEMBL3414519 0.89 HCRTR1 (0.35) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL1339480 0.87 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL1340352 0.82 TSHR (0.41) HCRTR1HCRTR2ALDH1A1
SCHEMBL3415414 0.81 HCRTR1 (0.42) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL1340849 0.81 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1338187 0.81 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL1338185 0.81 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3431383 0.81 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL1340772 0.81 HCRTR1 (0.62) 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-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 2/4885MTNR1B 9/4885

“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.