SCHEMBL4666899

SCHEMBL4666899

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
SLC6A3 Q01959 1/20 0.48
HSD11B1 P28845 4/20 0.39
OPRK1 P41145 4/20 0.39
OPRD1 P41143 3/20 0.39
OPRM1 P35372 1/20 0.39
CCR1 P32246 1/20 0.38
PTGS2 P35354 1/20 0.37
GRIN2B Q13224 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 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
SCHEMBL4612537 0.88 OPRD1 (0.48) KMT2AOPRK1OPRD1OPRM1ALDH1A1
SCHEMBL16423921 0.84 SLC6A3 (0.44) KMT2ASLC6A3OPRK1OPRD1OPRM1
SCHEMBL16422916 0.84 SLC6A3 (0.44) KMT2ASLC6A3OPRK1OPRD1OPRM1
SCHEMBL4924810 0.84 RORC (0.45) KMT2ASLC6A3
SCHEMBL4602863 0.84 HSD11B1 (0.38) KMT2ASLC6A3HSD11B1OPRM1CCR1
SCHEMBL4603488 0.84 HSD11B1 (0.38) KMT2ASLC6A3HSD11B1OPRM1CCR1
SCHEMBL16423480 0.83 KMT2A (0.51) KMT2ASLC6A3HSD11B1OPRK1OPRD1
SCHEMBL4666335 0.81 SLC6A3 (0.49) KMT2ASLC6A3HSD11B1OPRK1OPRD1
SCHEMBL16422536 0.81 SLC6A3 (0.49) KMT2ASLC6A3HSD11B1OPRK1OPRD1
SCHEMBL14046295 0.81 SLC6A3 (0.59) KMT2ASLC6A3OPRM1ALDH1A1MAPT

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 3 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
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 KMT2A 3354/4885SLC6A3 1030/4885HSD11B1 821/4885

“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.