SCHEMBL2925124

SCHEMBL2925124

O=C(NC[C@H]1NC[C@H]2C[C@H]21)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
CACNA1H O95180 1/20 0.41
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.38
MCHR1 Q99705 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL2925121 1.00 OPRM1 (0.47) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL2925127 1.00 OPRM1 (0.47) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL1340966 0.77 OPRM1 (0.52) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL1340964 0.77 OPRM1 (0.52) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL8209794 0.73 MAPT (0.50) OPRK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13451861 0.73 PKM (0.46)
SCHEMBL29926296 0.71 HDAC6 (0.59) NPC1RAB9ACACNA1HKMT2A
SCHEMBL1340005 0.71 PKM (0.37) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2933019 0.71 PKM (0.37) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3409585 0.71 PKM (0.37) ALDH1A1SMN1; SMN2KMT2A

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 5 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
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
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US 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 OPRM1 108/4885OPRD1 67/4885OPRK1 138/4885

“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.