SCHEMBL5469887

SCHEMBL5469887

COc1cccc(C2(CN)CCC(NCc3ccccc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
OPRM1 P35372 2/20 0.51
OPRL1 P41146 2/20 0.51
DPP4 P27487 3/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM1A O60341 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
TMEM97 Q5BJF2 1/20 0.42
TSHR P16473 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL5469892 1.00 ALDH1A1 (0.55) ALDH1A1OPRM1OPRL1DPP4MEN1
SCHEMBL4872161 0.94 ALDH1A1 (0.48) ALDH1A1OPRM1OPRL1DPP4MEN1
SCHEMBL4872154 0.94 ALDH1A1 (0.48) ALDH1A1OPRM1OPRL1DPP4MEN1
SCHEMBL4872165 0.94 ALDH1A1 (0.48) ALDH1A1OPRM1OPRL1DPP4MEN1
Hydrochloric Acid SCHEMBL4880581 0.86 ALDH1A1 (0.45) ALDH1A1OPRM1OPRL1DPP4KMT2A
Hydrochloric Acid SCHEMBL4880587 0.86 ALDH1A1 (0.45) ALDH1A1OPRM1OPRL1DPP4KMT2A
Hydrochloric Acid SCHEMBL4880591 0.86 ALDH1A1 (0.45) ALDH1A1OPRM1OPRL1DPP4KMT2A
SCHEMBL4880601 0.84 ALDH1A1 (0.48) ALDH1A1OPRM1OPRL1MEN1KMT2A
SCHEMBL4880590 0.84 ALDH1A1 (0.48) ALDH1A1OPRM1OPRL1MEN1KMT2A
SCHEMBL5477099 0.84 ALDH1A1 (0.57) ALDH1A1OPRM1OPRL1MEN1KMT2A

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-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP 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-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 ALDH1A1 2990/4885OPRM1 211/4885OPRL1 331/4885

“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.