SCHEMBL1340966

SCHEMBL1340966

O=C(NCC1NCC2CC21)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
P2RX7 Q99572 1/20 0.50
GRM5 P41594 2/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
CACNA1H O95180 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL1340964 1.00 OPRM1 (0.52) OPRM1OPRD1OPRK1P2RX7GRM5
SCHEMBL15967359 0.78 OPRM1 (0.54) OPRM1OPRD1OPRK1P2RX7GRM5
Hydrochloric Acid SCHEMBL708457 0.77 OPRM1 (0.53) OPRM1OPRD1OPRK1P2RX7GRM5
SCHEMBL2925127 0.77 OPRM1 (0.47) OPRM1OPRD1OPRK1CACNA1HL3MBTL1
SCHEMBL2925124 0.77 OPRM1 (0.47) OPRM1OPRD1OPRK1CACNA1HL3MBTL1
SCHEMBL8209794 0.74 MAPT (0.50) OPRK1GRM5L3MBTL1NPC1RAB9A
SCHEMBL7397494 0.72 P2RX7 (0.54) OPRM1OPRD1OPRK1P2RX7GRM5
SCHEMBL3776499 0.71 CACNA1H (0.49) OPRM1OPRD1OPRK1P2RX7KCNH2
SCHEMBL1339673 0.71 HCRTR1 (0.43) OPRM1OPRK1CACNA1HNPC1ALDH1A1
SCHEMBL13176296 0.71 HCRTR1 (0.43) OPRM1OPRK1CACNA1HNPC1ALDH1A1

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 3 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
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP 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 OPRM1 121/4885OPRD1 59/4885OPRK1 162/4885

“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.