SCHEMBL3853965

SCHEMBL3853965

OC1(c2cccc(C(F)(F)F)c2F)CCN(CCC(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.43
OPRL1 P41146 8/20 0.39
OPRD1 P41143 2/20 0.39
DRD2 P14416 4/20 0.39
CCR1 P32246 2/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
HTR1A P08908 2/20 0.38
DRD4 P21917 2/20 0.38
HRH2 P25021 2/20 0.38
HTR1D P28221 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR7 P34969 2/20 0.38
OPRK1 P41145 2/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL2783423 0.87 LMNA (0.44) OPRM1OPRL1OPRD1DRD2CCR1
SCHEMBL3853355 0.86 DRD2 (0.43) OPRM1OPRL1OPRD1DRD2CCR1
SCHEMBL3851753 0.85 UBE2M (0.45) OPRM1OPRD1DRD2CCR1HTR1A
SCHEMBL3772165 0.84 OPRL1 (0.39) OPRM1OPRL1OPRD1DRD2CCR1
SCHEMBL3853446 0.84 DRD2 (0.42) OPRM1OPRL1OPRD1DRD2CCR1
SCHEMBL3769750 0.82 OPRD1 (0.38) OPRM1OPRL1OPRD1OPRK1CYP3A4
SCHEMBL3107366 0.80 DRD2 (0.39) OPRM1OPRL1OPRD1DRD2CCR1
SCHEMBL5501040 0.79 FPR3 (0.40) OPRM1OPRL1OPRD1DRD2CCR1
SCHEMBL3853289 0.78 DRD2 (0.57) OPRM1OPRL1OPRD1DRD2CCR1
SCHEMBL3850487 0.76 SIGMAR1 (0.45) DRD2HTR2CSLC6A2SLC6A4CYP3A4

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
EP-1765779-B1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP disclosed
US-7579474-B2 Substituted piperidines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH AB, SVERIGE (DK) 2009-08-25 US disclosed
US-20070270467-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-11-22 US disclosed
EP-1765779-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-03-28 EP disclosed
WO-2005121092-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 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-20070270467-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, PRLHR, DRD3 OPRM1 35/4885OPRL1 9/4885OPRD1 7/4885

“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.