SCHEMBL2925539

SCHEMBL2925539

COc1ccc(N2CCN(C(C)C)CC2)cc1S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.45
MAPT P10636 3/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TGFBR1 P36897 2/20 0.44
ACVR1 Q04771 2/20 0.44
KCNH2 Q12809 1/20 0.44
HTR6 P50406 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
TLR9 Q9NR96 2/20 0.43
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 2/20 0.43
POLB P06746 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41

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
SCHEMBL2928909 0.81 KDM2B (0.48) SMN1; SMN2ALDH1A1MAPK1MAPTKDM4E
SCHEMBL2929064 0.81 HTR6 (0.53) SMN1; SMN2ALDH1A1MAPK1KDM4ETGFBR1
SCHEMBL2921463 0.81 KDM4E (0.54) ALDH1A1MAPTPKMKDM4ENR1H2
SCHEMBL2928872 0.79 DRD2 (0.57) SMN1; SMN2MAPK1MAPTHTR6LMNA
SCHEMBL21361441 0.77 MAPT (0.49) SMN1; SMN2ALDH1A1MAPTPKMKDM4E
SCHEMBL2206359 0.77 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTPKMKDM4E
SCHEMBL2922399 0.77 TMEM97 (0.45) SMN1; SMN2ALDH1A1MAPK1MAPTKDM4E
SCHEMBL2926804 0.77 DRD2 (0.51) SMN1; SMN2KDM4EKCNH2
SCHEMBL1911903 0.76 TGFBR1 (0.51) ALDH1A1MAPTPKMKDM4ETGFBR1
SCHEMBL2203905 0.75 SIRT6 (0.59) SMN1; SMN2ALDH1A1MAPK1MAPTLMNA

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 SMN1; SMN2 904/4885ALDH1A1 2318/4885RECQL 2604/4885

“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.