SCHEMBL4602080

SCHEMBL4602080

CC1(C)CNCC[C@@]1(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.52
OPRM1 P35372 4/20 0.46
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 1/20 0.37
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
SLC6A4 P31645 2/20 0.35
DRD2 P14416 1/20 0.35
HTR2C P28335 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TACR1 P25103 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4601667 1.00 HTR2A (0.52) HTR2AOPRM1SLC6A2SLC6A3CHRNB2
SCHEMBL4602093 1.00 HTR2A (0.52) HTR2AOPRM1SLC6A2SLC6A3CHRNB2
SCHEMBL440317 0.83 DRD2 (0.54) HTR2ASLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL440316 0.83 DRD2 (0.54) HTR2ASLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL2159303 0.83 SLC6A3 (0.41) HTR2ASLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL656206 0.83 DRD2 (0.54) HTR2ASLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL10169493 0.80 DRD2 (0.37) HTR2ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL27654547 0.79 HTR2A (0.35) HTR2AOPRM1SLC6A2SLC6A3ALDH1A1
Propionic Acid SCHEMBL2795314 0.77 DRD2 (0.44) SLC6A2SLC6A3ALDH1A1SLC6A4DRD2
SCHEMBL13282640 0.73 SLC6A2 (0.42) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3

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
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 US disclosed
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 US 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

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 HTR2A 843/4885OPRM1 12/4885SLC6A2 2819/4885

“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.