SCHEMBL10316574

SCHEMBL10316574

CCC1(c2cc[c]cc2)CCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
SLC6A4 P31645 13/20 0.35
SLC6A3 Q01959 12/20 0.35
SLC6A2 P23975 6/20 0.35
SLC22A1 O15245 1/20 0.33
CHRM2 P08172 1/20 0.33
ACHE P22303 1/20 0.33
OPRM1 P35372 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL21899382 0.94 SLC6A3 (0.42) DPP4SLC6A4SLC6A3SLC6A2TSHR
SCHEMBL10316662 0.91 MAOA (0.35) SLC6A4SLC6A3OPRM1
SCHEMBL12982361 0.81 CNR2 (0.39) SLC6A4SLC6A3SLC6A2OPRM1CYP2D6
SCHEMBL21899362 0.79 SLC6A3 (0.40) DPP4SLC6A4SLC6A3SLC6A2
SCHEMBL18185597 0.79 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2
SCHEMBL10606137 0.78 DPP4 (0.57) DPP4SLC6A4SLC6A3SLC6A2CHRM2
SCHEMBL2656480 0.76 CNR2 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL12981604 0.75 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2OPRM1CYP2D6
SCHEMBL12981512 0.75 ALDH1A1 (0.40) DPP4SLC6A4SLC6A3SLC6A2
SCHEMBL13971687 0.75 SLC6A4 (0.58) SLC6A4SLC6A3SLC6A2CHRM2TSHR

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 DPP4 2869/4885SLC6A4 3612/4885SLC6A3 4210/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR DPP4 802/4885SLC6A4 774/4885SLC6A3 1394/4885

“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.