SCHEMBL1340523

SCHEMBL1340523

O=C(NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1cccc(C(F)(F)F)c1)c1cccc2occc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.48
HCRTR2 O43614 8/20 0.43
POLB P06746 3/20 0.38
DDR1 Q08345 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1339339 0.85 HCRTR1 (0.52) HCRTR1HCRTR2CYP2C9CYP2C19
SCHEMBL1398589 0.83 HCRTR1 (0.49) HCRTR1HCRTR2POLBLMNAHPGD
SCHEMBL1340002 0.79 HCRTR1 (0.54) HCRTR1HCRTR2LMNAHPGDALDH1A1
SCHEMBL1339152 0.79 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL2930343 0.78 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1339577 0.78 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2930345 0.78 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2932952 0.75 LMNA (0.47) POLBLMNAHPGDMEN1KMT2A
SCHEMBL3430439 0.75 LMNA (0.47) POLBLMNAHPGDMEN1KMT2A
SCHEMBL1339871 0.74 HCRTR1 (0.76) 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 2 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 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 2/4885POLB 3512/4885

“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.