SCHEMBL2926804

SCHEMBL2926804

CCCCN1CCN(c2ccc(OC)c(S(C)(=O)=O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.51
DRD3 P35462 2/20 0.51
HTR1A P08908 1/20 0.47
KCNH2 Q12809 2/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HTR7 P34969 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2928872 0.93 DRD2 (0.57) DRD2DRD3SMN1; SMN2
SCHEMBL2928909 0.87 KDM2B (0.48) DRD2DRD3KDM4EGAASMN1; SMN2
SCHEMBL7430034 0.86 DRD2 (0.51) DRD2DRD3SMN1; SMN2MEN1CYP2C9
SCHEMBL2926891 0.82 DRD2 (0.51) DRD2DRD3HTR1AKCNH2KDM4E
SCHEMBL2922399 0.81 TMEM97 (0.45) KDM4EHTR7SMN1; SMN2CYP2C19
SCHEMBL2925539 0.77 SMN1; SMN2 (0.48) KCNH2KDM4ESMN1; SMN2
SCHEMBL2929064 0.77 HTR6 (0.53) HTR1AKDM4EHTR7SMN1; SMN2KMT2A
SCHEMBL2928035 0.74 DRD2 (0.60) DRD2DRD3KDM4EGAA
SCHEMBL2927674 0.74 DRD2 (0.60) DRD2DRD3KDM4EGAA
SCHEMBL9484728 0.74 CYP2C19 (0.49) DRD2DRD3KCNH2GAAHTR7

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 DRD2 16/4885DRD3 22/4885HTR1A 75/4885

“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.