SCHEMBL4603160

SCHEMBL4603160

C[C@H]1CNCC[C@]1(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
OPRL1 P41146 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
HTR2A P28223 2/20 0.42
MAPT P10636 1/20 0.41
CNR2 P34972 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
REN P00797 1/20 0.36
CYP3A4 P08684 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
SCHEMBL11768776 1.00 OPRM1 (0.47) OPRM1OPRL1SMN1; SMN2HTR2AMAPT
Hydrochloric Acid SCHEMBL18038830 0.98 OPRM1 (0.46) OPRM1OPRL1SMN1; SMN2HTR2AMAPT
SCHEMBL655610 0.83 DRD2 (0.53) HTR2AMAPTHTR2CHTR2BCHRNB2
SCHEMBL4885831 0.83 SLC6A3 (0.40) HTR2AHTR2CCHRNB2SLC6A2CHRNB4
SCHEMBL4073117 0.83 SLC6A3 (0.40) HTR2AHTR2CCHRNB2SLC6A2CHRNB4
SCHEMBL9310851 0.83 CHRNA1 (0.45) OPRM1OPRL1HTR2AHTR2CCHRNB2
SCHEMBL9310842 0.83 CHRNA1 (0.45) OPRM1OPRL1HTR2AHTR2CCHRNB2
SCHEMBL9310839 0.83 CHRNA1 (0.45) OPRM1OPRL1HTR2AHTR2CCHRNB2
Hydrochloric Acid SCHEMBL16799773 0.82 HTR2C (0.39) OPRM1OPRL1SMN1; SMN2HTR2AHTR2C
SCHEMBL9310455 0.82 REN (0.46) SMN1; SMN2HTR2AHTR2CHTR2BCHRNB2

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 6 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
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MCMURRAY GORDON 2008-09-25 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 OPRM1 12/4885OPRL1 21/4885SMN1; SMN2 1799/4885
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MC4R, MC5R, GPR4 OPRM1 66/4885OPRL1 46/4885SMN1; SMN2 3179/4885

“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.