SCHEMBL1340949

SCHEMBL1340949

Cc1cccc(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)c2ccsc2-c2cccc(C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.52
HCRTR2 O43614 4/20 0.52
DRD4 P21917 1/20 0.42
HPGD P15428 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3415595 1.00 HCRTR1 (0.52) HCRTR1HCRTR2DRD4HPGDRXFP1
SCHEMBL1340950 1.00 HCRTR1 (0.52) HCRTR1HCRTR2DRD4HPGDRXFP1
SCHEMBL3415599 1.00 HCRTR1 (0.52) HCRTR1HCRTR2DRD4HPGDRXFP1
SCHEMBL3414977 0.94 HCRTR1 (0.49) HCRTR1HCRTR2DRD4HPGDMEN1
SCHEMBL3414972 0.94 HCRTR1 (0.49) HCRTR1HCRTR2DRD4HPGDMEN1
SCHEMBL1340453 0.94 HCRTR1 (0.49) HCRTR1HCRTR2DRD4HPGDMEN1
SCHEMBL1340454 0.94 HCRTR1 (0.49) HCRTR1HCRTR2DRD4HPGDMEN1
SCHEMBL1339033 0.94 HCRTR1 (0.49) HCRTR1HCRTR2DRD4
SCHEMBL1339036 0.94 HCRTR1 (0.49) HCRTR1HCRTR2DRD4
SCHEMBL3431383 0.94 HCRTR1 (0.46) HCRTR1HCRTR2DRD4HPGDRXFP1

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
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP claimed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 US claimed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP 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 2/4885DRD4 263/4885

“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.