SCHEMBL2928576

SCHEMBL2928576

CCCN1CC=C(c2cc(C(F)(F)F)ccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.44
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
DRD2 P14416 1/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
HTR1A P08908 1/20 0.38
PNMT P11086 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
SCHEMBL7957641 0.81 TRPV1 (0.44) PPARGPPARASIGMAR1DRD2
SCHEMBL7963831 0.79 DRD2 (0.42) PPARGPPARASIGMAR1DRD2
SCHEMBL11278195 0.78 HTR7 (0.55) PPARGPPARASIGMAR1DRD2HTR1A
SCHEMBL7963828 0.76 HTR1D (0.37) HTR6PPARGPPARASIGMAR1DRD2
SCHEMBL7963975 0.74 L3MBTL1 (0.39) HTR1A
SCHEMBL7960353 0.74 PARP1 (0.37) PPARGPPARASIGMAR1HTR1A
SCHEMBL3766147 0.73 PPARG (0.52) HTR6PPARGPPARASIGMAR1DRD2
SCHEMBL2925103 0.72 HTR1A (0.49) HTR6PPARGPPARASIGMAR1HTR1A
SCHEMBL2781318 0.72 PPARG (0.44) HTR6PPARGPPARASIGMAR1DRD2
SCHEMBL2782763 0.72 HTR1A (0.40) HTR6PPARGPPARASIGMAR1DRD2

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-RE41315-E1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DE) 2010-05-04 US disclosed
EP-1419773-B1 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2008-06-04 EP disclosed
US-6924374-B2 Central nervous system disorders; psychological disorders A. CARLSSON RESEARCH AB (SE) 2005-08-02 US disclosed
EP-1419773-A2 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-05-19 EP disclosed
US-20030004169-A1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2003-01-02 US disclosed
EP-1240143-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046146-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 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-20030004169-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 HTR6 130/4885PPARG 3147/4885PPARA 4183/4885

“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.