SCHEMBL3852480

SCHEMBL3852480

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
CCR1 P32246 7/20 0.39
CHRM2 P08172 3/20 0.37
OPRL1 P41146 5/20 0.36
OPRM1 P35372 3/20 0.36
OPRK1 P41145 2/20 0.36
TSHR P16473 1/20 0.36
OPRD1 P41143 1/20 0.36
AR P10275 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.35

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
SCHEMBL3859083 0.91 CCR1 (0.44) KCNJ1KCNH2CCR1
SCHEMBL5511464 0.89 CCR1 (0.42) CCR1OPRL1OPRM1OPRK1OPRD1
SCHEMBL3849571 0.84 PDE4A (0.41) CCR1OPRL1OPRM1OPRK1OPRD1
SCHEMBL3851829 0.83 KCNN4 (0.44) CCR1OPRL1OPRM1OPRK1TSHR
SCHEMBL3852317 0.82 OPRM1 (0.48) OPRL1OPRM1OPRK1OPRD1AR
SCHEMBL3861370 0.82 OPRM1 (0.48) CCR1OPRL1OPRM1OPRK1TSHR
SCHEMBL3854368 0.81 AR (0.42) CCR1OPRL1OPRM1OPRK1OPRD1
Ethane SCHEMBL27686525 0.80 DRD2 (0.38) KCNJ1KCNH2CHRM2ARCHRM1
SCHEMBL3850884 0.78 AR (0.50) CCR1OPRL1OPRM1AR
SCHEMBL3850839 0.76 CCR1 (0.42) CCR1

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 KCNJ1 432/4885KCNH2 346/4885CCR1 2632/4885

“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.