SCHEMBL2923960

SCHEMBL2923960

CCCN1CCN(c2cc(F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
DRD2 P14416 8/20 0.47
SIGMAR1 Q99720 3/20 0.47
FFAR4 Q5NUL3 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2927838 0.92 DRD2 (0.46) ALDH1A1SMN1; SMN2DRD2SIGMAR1FFAR4
SCHEMBL2924853 0.91 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2DRD2SIGMAR1ADRB1
SCHEMBL2927784 0.88 MET (0.47) ALDH1A1SMN1; SMN2SIGMAR1FFAR4ADRB1
SCHEMBL10104322 0.85 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2DRD2SIGMAR1FFAR4
SCHEMBL2927915 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2DRD2SIGMAR1FFAR4
SCHEMBL18255830 0.83 ADRB1 (0.50) ALDH1A1SMN1; SMN2SIGMAR1FFAR4ADRB1
SCHEMBL2927397 0.79 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2DRD2SIGMAR1HTR1A
SCHEMBL13080288 0.78 DRD2 (0.62) ALDH1A1SMN1; SMN2DRD2SIGMAR1HTR1A
SCHEMBL28692744 0.78 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2DRD2SIGMAR1HTR1A
Ammonia Solution, Strong SCHEMBL11284383 0.78 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2DRD2SIGMAR1HTR1A

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 6 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
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 ALDH1A1 2318/4885SMN1; SMN2 904/4885DRD2 16/4885

“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.