SCHEMBL1340469

SCHEMBL1340469

CCn1nc(C)cc1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccsc1-c1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.48
HCRTR2 O43614 8/20 0.48
SMYD3 Q9H7B4 1/20 0.34
NAMPT P43490 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL1339872 0.91 HCRTR1 (0.39) HCRTR1HCRTR2SMYD3NAMPTKDM4E
SCHEMBL1337960 0.91 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1339316 0.88 HCRTR1 (0.49) HCRTR1HCRTR2SMYD3
SCHEMBL1339401 0.88 HCRTR1 (0.45) HCRTR1HCRTR2SMYD3
SCHEMBL3413437 0.87 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL1340428 0.86 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2927972 0.85 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1339828 0.85 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1340949 0.84 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3415595 0.84 HCRTR1 (0.52) 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 2/4885SMYD3 1418/4885

“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.