SCHEMBL2246366

SCHEMBL2246366

O=C(O)N1CC[C@](O)(c2ccccc2)[C@@H](O)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.49
OPRD1 P41143 2/20 0.49
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
OPRL1 P41146 2/20 0.43
OPRM1 P35372 1/20 0.43
CNR2 P34972 4/20 0.43
CNR1 P21554 1/20 0.43
HSD11B1 P28845 2/20 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
SCHEMBL2242094 1.00 OPRK1 (0.49) OPRK1OPRD1ALDH1A1KMT2AMAPT
SCHEMBL4614574 0.87 SLC6A3 (0.49) OPRK1OPRD1KMT2AOPRM1HSD11B1
SCHEMBL16422536 0.87 SLC6A3 (0.49) OPRK1OPRD1KMT2AOPRM1HSD11B1
SCHEMBL4666335 0.87 SLC6A3 (0.49) OPRK1OPRD1KMT2AOPRM1HSD11B1
SCHEMBL6042399 0.87 KMT2A (0.49) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL18038731 0.83 OPRL1 (0.59) OPRK1OPRD1ALDH1A1KMT2AMAPT
SCHEMBL28063989 0.82 OPRK1 (0.56) OPRK1OPRD1ALDH1A1KMT2AMAPT
SCHEMBL2925713 0.82 CNR2 (0.53) OPRK1OPRD1KMT2AMEN1OPRL1
SCHEMBL20820421 0.81 ALK (0.49) OPRK1OPRD1ALDH1A1KMT2AMAPT
SCHEMBL2239220 0.81 ALK (0.49) OPRK1OPRD1ALDH1A1KMT2AMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP disclosed
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 (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-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds GPR4, GPR119, PRLHR OPRK1 24/4885OPRD1 8/4885ALDH1A1 590/4885
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 OPRK1 543/4885OPRD1 308/4885ALDH1A1 288/4885

“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.