SCHEMBL3849571

SCHEMBL3849571

CCN1CCC(O)(c2ccc(C#N)c(OC(F)F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
CCR1 P32246 11/20 0.37
AR P10275 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
CHEK1 O14757 1/20 0.35
SSTR5 P35346 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
NOS2 P35228 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
SCHEMBL3850839 0.91 CCR1 (0.42) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL3852480 0.84 KCNJ1 (0.40) CCR1AROPRM1OPRD1OPRK1
SCHEMBL3857797 0.83 SSTR5 (0.41) PDE4APDE4BPDE4CPDE4DOPRL1
SCHEMBL3849548 0.82 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1SSTR5
SCHEMBL3854368 0.81 AR (0.42) CCR1AROPRM1OPRD1OPRK1
Ethane SCHEMBL27705521 0.80 DRD2 (0.38) PDE4APDE4BPDE4CPDE4DAR
SCHEMBL3850884 0.78 AR (0.50) CCR1AROPRM1OPRL1NOS2
SCHEMBL3852317 0.78 OPRM1 (0.48) AROPRM1OPRD1OPRK1OPRL1
SCHEMBL3859083 0.76 CCR1 (0.44) CCR1
SCHEMBL5511464 0.75 CCR1 (0.42) CCR1OPRM1OPRD1OPRK1OPRL1

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 8 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
CN-101076517-A Novel substituted piperidines as modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2007-11-21 CN claimed
CN-101076517-B Substituted piperidines as modulators of dopamine neurotransmission NSAB AF NEUROSEARCH SWEDEN AB 2010-12-15 CN 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
CN-101076517-A Novel substituted piperidines as modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2007-11-21 CN 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 PDE4A 133/4885PDE4B 207/4885PDE4C 215/4885

“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.