SCHEMBL2931380

SCHEMBL2931380

NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.46
HCRTR2 O43614 5/20 0.46
FPR2 P25090 5/20 0.41
FPR1 P21462 1/20 0.41
MTTP P55157 6/20 0.40
KLRK1 P26718 1/20 0.39
MICA Q29983 1/20 0.39
RAET1L Q5VY80 1/20 0.39
APOB P04114 5/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL2930625 0.89 RORB (0.47) HCRTR1HCRTR2KLRK1MICARAET1L
SCHEMBL3415826 0.88 HCRTR1 (0.44) HCRTR1HCRTR2FPR2FPR1
SCHEMBL2925286 0.88 HCRTR1 (0.44) HCRTR1HCRTR2FPR2FPR1
SCHEMBL3415640 0.87 TSHR (0.46) HCRTR1HCRTR2
SCHEMBL2930537 0.87 TSHR (0.46) HCRTR1HCRTR2
SCHEMBL2931896 0.85 HCRTR2 (0.44) HCRTR1HCRTR2FPR2
SCHEMBL2924530 0.85 SLC6A4 (0.41) HCRTR1HCRTR2FPR2
SCHEMBL3416998 0.85 HCRTR2 (0.44) HCRTR1HCRTR2FPR2
SCHEMBL2931383 0.84 HCRTR1 (0.48) HCRTR1HCRTR2MTTPKLRK1MICA
SCHEMBL2931078 0.83 FPR2 (0.41) HCRTR1HCRTR2FPR2GAA

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
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 2/4885FPR2 506/4885

“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.