SCHEMBL2928327

SCHEMBL2928327

CCCN1CC=C(c2ccc(OC)c(S(C)(=O)=O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
QDPR P09417 2/20 0.44
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL311532 0.76 SIGMAR1 (0.48) SIGMAR1QDPRATMKDM4EMEN1
SCHEMBL4827565 0.76 DRD2 (0.53) SIGMAR1HTR6
SCHEMBL18396148 0.73 DRD2 (0.49) SIGMAR1HTR6
SCHEMBL2928872 0.72 DRD2 (0.57) SIGMAR1SMN1; SMN2MAPTHTR6
SCHEMBL10257190 0.71 QDPR (0.44) SIGMAR1QDPRATMHTR6PPARG
SCHEMBL10291112 0.71 KDM4E (0.52) SIGMAR1QDPRKDM4EMEN1KMT2A
SCHEMBL2928049 0.71 DRD2 (0.59) SIGMAR1HTR6
SCHEMBL19944415 0.70 SIGMAR1 (0.62) SIGMAR1ATMMEN1KMT2AHTR7
SCHEMBL29363627 0.70 SIGMAR1 (0.60) SIGMAR1
SCHEMBL17411300 0.70 HTR1A (0.51) SIGMAR1HTR6

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 SIGMAR1 5/4885QDPR 385/4885ATM 3004/4885

“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.