SCHEMBL3856508

SCHEMBL3856508

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.46
DRD2 P14416 8/20 0.42
AR P10275 1/20 0.41
HTR1A P08908 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL3854368 0.90 AR (0.42) CCR1DRD2AR
SCHEMBL3853342 0.85 CCR1 (0.48) CCR1AR
SCHEMBL3854549 0.84 OPRM1 (0.48) CCR1DRD2ARHTR1ADRD1
SCHEMBL3860349 0.84 DRD2 (0.55) DRD2HTR1ADRD1DRD5SLC6A2
SCHEMBL5503101 0.82 CCR1 (0.46) CCR1AR
SCHEMBL3859083 0.82 CCR1 (0.44) CCR1
SCHEMBL3850839 0.82 CCR1 (0.42) CCR1
SCHEMBL4823323 0.81 TRPV4 (0.47) AR
SCHEMBL3857869 0.81 DRD2 (0.51) DRD2HTR1ADRD1DRD5SLC6A2
SCHEMBL3851778 0.78 DRD2 (0.52) CCR1DRD2HTR1ADRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270467-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-11-22 US claimed
EP-1765779-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-03-28 EP claimed
WO-2005121092-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO claimed
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 CCR1 2632/4885DRD2 1/4885AR 3152/4885

“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.