SCHEMBL4601641

SCHEMBL4601641

CO[C@H]1CN(C(=O)O)CC[C@]1(OC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.41
MAPK1 P28482 2/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
OPRM1 P35372 2/20 0.39
HSD11B1 P28845 2/20 0.38
DRD3 P35462 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 1/20 0.37
SCD5 Q86SK9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL4601058 1.00 NPSR1 (0.44) NPSR1LMNAGAAMAPK1SLC6A2
SCHEMBL4602863 0.88 HSD11B1 (0.38) NPSR1OPRM1HSD11B1KMT2A
SCHEMBL4603488 0.88 HSD11B1 (0.38) NPSR1OPRM1HSD11B1KMT2A
SCHEMBL4602481 0.85 NPSR1 (0.42) NPSR1LMNAGAAMAPK1SLC6A2
SCHEMBL4916628 0.85 TSHR (0.46) OPRD1OPRK1
SCHEMBL4921776 0.85 TSHR (0.46) OPRD1OPRK1
SCHEMBL4602256 0.85 NPSR1 (0.45) NPSR1LMNAGAAMAPK1SLC6A2
SCHEMBL4612537 0.82 OPRD1 (0.48) LMNAMAPK1OPRM1OPRD1OPRK1
SCHEMBL14610183 0.81 ALDH1A1 (0.40) NPSR1LMNAGAAMAPK1HSD11B1
SCHEMBL14046315 0.80 LMNA (0.49) NPSR1LMNAGAASLC6A2SLC6A4

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
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 US disclosed
EP-1928460-A2 MC4R-AGONISTS FOR THE TREATMENT OF URINARY TRACT DYSFUNCTION Pfizer Limited (GB) 2008-06-11 EP disclosed
EP-1912968-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS Pfizer Limited (GB) 2008-04-23 EP disclosed
WO-2007015162-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-02-08 WO disclosed
WO-2007015157-A2 MC4R-AG0NISTS FOR THE TREATMENT OF URINARY TRACT DYSFUNCTION PFIZER LIMITED (GB) 2007-02-08 WO 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-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds GPR4, GPR119, PRLHR NPSR1 26/4885LMNA 4432/4885GAA 3822/4885

“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.