SCHEMBL735996

SCHEMBL735996

Cc1ccc(N2CC3(CCNCC3)OCC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
OPRM1 P35372 3/20 0.47
ADRB1 P08588 1/20 0.38
MAPT P10636 1/20 0.37
HTR7 P34969 2/20 0.36
OPRL1 P41146 1/20 0.36
POLB P06746 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
TP53 P04637 1/20 0.35
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL736873 0.86 SIGMAR1 (0.47) SIGMAR1OPRM1
SCHEMBL737442 0.86 SIGMAR1 (0.62) SIGMAR1OPRM1MAPTTP53SMN1; SMN2
SCHEMBL737418 0.85 SIGMAR1 (0.44) SIGMAR1OPRM1ADRB1MAPTPOLB
SCHEMBL737073 0.85 SIGMAR1 (0.46) SIGMAR1OPRM1OPRL1POLBSMN1; SMN2
SCHEMBL735645 0.84 OPRM1 (0.44) SIGMAR1OPRM1OPRL1PTGS2
SCHEMBL737026 0.83 SIGMAR1 (0.47) SIGMAR1OPRM1
SCHEMBL736328 0.83 SIGMAR1 (0.40) SIGMAR1OPRM1OPRL1
SCHEMBL735827 0.80 SIGMAR1 (0.42) SIGMAR1OPRM1
SCHEMBL669637 0.80 OPRM1 (0.43) SIGMAR1OPRM1ADRB1HTR7OPRL1
Hydrochloric Acid SCHEMBL670765 0.79 OPRM1 (0.42) SIGMAR1OPRM1ADRB1HTR7OPRL1

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-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 SIGMAR1 11/4885OPRM1 15/4885ADRB1 87/4885

“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.