SCHEMBL3854549

SCHEMBL3854549

CCCN1CCC(O)(c2ccc(C#N)c(C(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.48
OPRL1 P41146 6/20 0.48
OPRK1 P41145 9/20 0.47
HTR1A P08908 8/20 0.47
DRD2 P14416 8/20 0.47
DRD4 P21917 8/20 0.47
HTR2A P28223 8/20 0.47
HTR2C P28335 8/20 0.47
HTR7 P34969 8/20 0.47
HTR1D P28221 7/20 0.47
OPRD1 P41143 7/20 0.47
DRD3 P35462 7/20 0.47
HTR2B P41595 7/20 0.47
HRH2 P25021 6/20 0.47
DRD1 P21728 6/20 0.47
DRD5 P21918 6/20 0.47
SLC6A2 P23975 6/20 0.47
SLC6A4 P31645 6/20 0.47
HTR6 P50406 6/20 0.47
SLC6A3 Q01959 6/20 0.47

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
SCHEMBL3852317 0.91 OPRM1 (0.48) OPRM1OPRL1OPRK1HTR1ADRD2
SCHEMBL3856508 0.84 CCR1 (0.46) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL3859083 0.83 CCR1 (0.44) CCR1
SCHEMBL2929705 0.83 OPRL1 (0.53) OPRM1OPRL1OPRK1HTR1ADRD2
SCHEMBL3853342 0.82 CCR1 (0.48) CCR1AR
SCHEMBL3850816 0.82 OPRM1 (0.69) OPRM1OPRL1OPRK1HTR1ADRD2
SCHEMBL25557070 0.81 OPRM1 (0.49) OPRM1OPRL1OPRK1HTR1ADRD2
SCHEMBL5503101 0.79 CCR1 (0.46) CCR1AR
SCHEMBL3850839 0.79 CCR1 (0.42) CCR1
Ethane SCHEMBL27686572 0.77 AR (0.44) DRD2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 9/4885OPRK1 11/4885

“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.