SCHEMBL2931855

SCHEMBL2931855

NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nc(N)sc1-c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.42
HCRTR2 O43614 17/20 0.42
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
THPO P40225 1/20 0.36

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
SCHEMBL3415401 1.00 HCRTR1 (0.42) HCRTR1HCRTR2CYP1A2CYP3A4THPO
SCHEMBL3412047 1.00 HCRTR1 (0.42) HCRTR1HCRTR2CYP1A2CYP3A4THPO
SCHEMBL1339324 1.00 HCRTR1 (0.42) HCRTR1HCRTR2CYP1A2CYP3A4THPO
SCHEMBL3415404 1.00 HCRTR1 (0.42) HCRTR1HCRTR2CYP1A2CYP3A4THPO
SCHEMBL2445609 0.94 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL3411924 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3409384 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2926677 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2931302 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2926988 0.89 HCRTR1 (0.42) 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
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP claimed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US claimed
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 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-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 HCRTR1 1/4885HCRTR2 2/4885CYP1A2 558/4885

“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.