SCHEMBL4602863

SCHEMBL4602863

CO[C@@H]1CN(C(=O)O)CC[C@@]1(OC)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.38
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CCR1 P32246 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RORC P51449 2/20 0.35

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
SCHEMBL4603488 1.00 HSD11B1 (0.38) HSD11B1SLC6A3KMT2AOPRM1NPSR1
SCHEMBL4601058 0.88 NPSR1 (0.44) HSD11B1KMT2AOPRM1NPSR1
SCHEMBL4601641 0.88 NPSR1 (0.44) HSD11B1KMT2AOPRM1NPSR1
SCHEMBL4916837 0.85 RORC (0.44) KMT2ARORC
SCHEMBL4924425 0.85 RORC (0.44) KMT2ARORC
SCHEMBL4666899 0.84 KMT2A (0.48) HSD11B1SLC6A3KMT2AOPRM1CCR1
SCHEMBL14046350 0.80 SLC6A3 (0.43) SLC6A3KMT2AOPRM1NPSR1
SCHEMBL14046257 0.80 SLC6A3 (0.43) SLC6A3KMT2AOPRM1NPSR1
SCHEMBL14046320 0.80 SLC6A3 (0.43) SLC6A3KMT2AOPRM1NPSR1
SCHEMBL4601273 0.77 MC4R (0.55)

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-2007015157-A2 MC4R-AG0NISTS FOR THE TREATMENT OF URINARY TRACT DYSFUNCTION PFIZER LIMITED (GB) 2007-02-08 WO disclosed
WO-2007015162-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS 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 HSD11B1 821/4885SLC6A3 1030/4885KMT2A 3354/4885

“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.