SCHEMBL2928605

SCHEMBL2928605

CCCN1C(C)CN(c2ccc(F)c(C(F)(F)F)c2)CC1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
AR P10275 11/20 0.42
RXRA P19793 4/20 0.39
GRIN1 Q05586 4/20 0.39
GRIN2B Q13224 4/20 0.39
ACACB O00763 1/20 0.39
DPP4 P27487 2/20 0.38
OPRM1 P35372 1/20 0.37

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
SCHEMBL2928601 1.00 NOTUM (0.46) NOTUMARRXRAGRIN1GRIN2B
SCHEMBL2925230 0.86 DPP4 (0.52) NOTUMDPP4
SCHEMBL2925227 0.86 DPP4 (0.52) NOTUMDPP4
SCHEMBL7132782 0.77 ALDH1A1 (0.55) NOTUMOPRM1
SCHEMBL7132786 0.77 ALDH1A1 (0.55) NOTUMOPRM1
SCHEMBL2928767 0.77 DRD2 (0.50) NOTUMAR
SCHEMBL2929745 0.73 DPP4 (0.47) NOTUMDPP4OPRM1
SCHEMBL2929747 0.73 DPP4 (0.47) NOTUMDPP4OPRM1
SCHEMBL20180730 0.71 ALKBH5 (0.39) NOTUMDPP4
SCHEMBL7136208 0.70 DRD2 (0.45) OPRM1

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 NOTUM 3910/4885AR 2360/4885RXRA 2306/4885

“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.