SCHEMBL2929064

SCHEMBL2929064

COc1ccc(N2CCNCC2)cc1S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.53
KMT2A Q03164 1/20 0.52
ADRB1 P08588 4/20 0.50
HTR1A P08908 2/20 0.50
HTR7 P34969 2/20 0.50
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
ACVR1B P36896 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVR1 Q04771 1/20 0.44
MAPK1 P28482 1/20 0.44

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) HTR6SMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL2925539 0.81 SMN1; SMN2 (0.48) HTR6SMN1; SMN2TGFBR1ACVR1MAPK1
SCHEMBL361649 0.80 ADRB1 (0.61) HTR6ADRB1HTR1AHTR7HTR3E
SCHEMBL2925235 0.79 ADRB1 (0.61) HTR6ADRB1HTR1AHTR7HTR3E
SCHEMBL2928872 0.79 DRD2 (0.57) HTR6SMN1; SMN2SIGMAR1MAPK1LMNA
Hydrochloric Acid SCHEMBL7711565 0.79 ADRB1 (0.59) HTR6ADRB1HTR1AHTR7HTR3E
Hydrochloric Acid SCHEMBL2156292 0.79 ADRB1 (0.59) HTR6ADRB1HTR1AHTR7HTR3E
SCHEMBL27403145 0.77 ADRB1 (0.67) HTR6ADRB1HTR1AHTR7HTR3E
SCHEMBL2922399 0.77 TMEM97 (0.45) HTR7SMN1; SMN2SIGMAR1MAPK1KDM4E
SCHEMBL2926804 0.77 DRD2 (0.51) KMT2AHTR1AHTR7SMN1; SMN2KDM4E

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 HTR6 130/4885KMT2A 4628/4885ADRB1 100/4885

“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.