SCHEMBL2925103

SCHEMBL2925103

CCCN1CC=C(c2cc(F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.49
HTR7 P34969 2/20 0.43
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
SIGMAR1 Q99720 6/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR6 P50406 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
SCHEMBL11278195 0.82 HTR7 (0.55) HTR1AHTR7PPARGPPARASIGMAR1
SCHEMBL3849003 0.78 HTR7 (0.42) HTR1AHTR7PPARGPPARASIGMAR1
SCHEMBL19944415 0.78 SIGMAR1 (0.62) HTR7SIGMAR1MEN1KMT2ANPSR1
SCHEMBL2921933 0.76 SIGMAR1 (0.47) HTR1ASIGMAR1MEN1KMT2ANPSR1
SCHEMBL11269207 0.74 HTR7 (0.60) HTR7PPARGPPARASIGMAR1MEN1
SCHEMBL2928576 0.72 HTR6 (0.44) HTR1APPARGPPARASIGMAR1HTR6
SCHEMBL2926368 0.72 SIGMAR1 (0.39) HTR1APPARGPPARASIGMAR1MEN1
SCHEMBL29363627 0.71 SIGMAR1 (0.60) HTR1ASIGMAR1
SCHEMBL9020738 0.71 HTR7 (0.52) HTR7PPARGPPARAMEN1KMT2A
SCHEMBL14438052 0.71 PPARG (0.51) PPARGPPARASIGMAR1MEN1KMT2A

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 HTR1A 75/4885HTR7 18/4885PPARG 3147/4885

“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.