SCHEMBL10316636

SCHEMBL10316636

CCCCC1(c2cc[c]cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.39
CNR1 P21554 4/20 0.39
OPRM1 P35372 3/20 0.36
OPRL1 P41146 3/20 0.36
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
KCNH2 Q12809 1/20 0.35
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP19A1 P11511 3/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL10316876 0.93 CNR1 (0.47) CNR2CNR1OPRM1OPRL1OPRD1
SCHEMBL12981092 0.93 CNR1 (0.47) CNR2CNR1OPRM1OPRL1OPRD1
SCHEMBL12982361 0.93 CNR2 (0.39) CNR2CNR1OPRM1OPRL1SLC6A4
SCHEMBL2656480 0.91 CNR2 (0.43) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL12981604 0.88 SLC6A4 (0.36) CNR2CNR1OPRM1OPRL1SLC6A4
SCHEMBL9867898 0.86 CNR2 (0.48) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL10732467 0.84 CNR2 (0.50) CNR2CNR1SLC6A4SLC6A3SLC6A2
SCHEMBL12981120 0.80 OPRM1 (0.40) CNR2CNR1OPRM1OPRL1SLC6A4
SCHEMBL27874183 0.80 OPRM1 (0.53) CNR2CNR1OPRM1OPRL1SLC6A4
SCHEMBL10316662 0.79 MAOA (0.35) OPRM1OPRL1SLC6A4SLC6A3MAOA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP claimed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US claimed
CN-102666490-A Aminopyridine compound UBE INDUSTRIES 2012-09-12 CN claimed
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US claimed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP claimed
CN-102548985-A Substituted carbonyl compounds UBE INDUSTRIES 2012-07-04 CN claimed
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US disclosed
CN-102666490-A Aminopyridine compound UBE INDUSTRIES 2012-09-12 CN disclosed
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US disclosed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP disclosed
CN-102548985-A Substituted carbonyl compounds UBE INDUSTRIES 2012-07-04 CN 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 (2 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-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 CNR2 26/4885CNR1 53/4885OPRM1 170/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR CNR2 613/4885CNR1 897/4885OPRM1 1537/4885

“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.