SCHEMBL2884249

SCHEMBL2884249

CS(=O)(=O)Nc1ccccc1N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.53
HTR6 P50406 6/20 0.50
STAT3 P40763 1/20 0.48
HTR3E A5X5Y0 2/20 0.47
HTR3B O95264 2/20 0.47
HTR3A P46098 2/20 0.47
HTR3D Q70Z44 2/20 0.47
HTR3C Q8WXA8 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
DRD2 P14416 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD3 P35462 1/20 0.47
HTR7 P34969 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MCOLN2 Q8IZK6 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
MCOLN1 Q9GZU1 1/20 0.46
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45

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
Hydrochloric Acid SCHEMBL4524195 0.98 ADRB1 (0.51) ADRB1HTR6STAT3HTR3EHTR3B
SCHEMBL14356049 0.85 ADRB1 (0.49) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL23043705 0.84 MCOLN3 (0.61) LMNAMAPTMCOLN2MCOLN3MCOLN1
SCHEMBL14356053 0.84 ADRB1 (0.47) ADRB1HTR6STAT3HTR3EHTR3B
SCHEMBL14355835 0.83 TSHR (0.52) DRD2DRD3LMNAMAPTMCOLN2
SCHEMBL14356051 0.82 MCOLN3 (0.64) HTR6DRD3LMNAMCOLN2MCOLN3
SCHEMBL22542115 0.81 HTR6 (0.47) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL7480232 0.81 HTR6 (0.47) ADRB1HTR6STAT3HTR3EHTR3B
SCHEMBL5558969 0.80 MCOLN3 (0.57) HTR6CYP2C19LMNAMAPTMCOLN2
Hydrochloric Acid SCHEMBL7485902 0.80 HTR6 (0.46) ADRB1HTR6STAT3HTR3EHTR3B

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691860-B2 Sulfonamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
US-20080161326-A1 Novel Sulfone Amide Amide Derivatives MSD K.K. (JP) 2008-07-03 US disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2006-10-26 US disclosed
EP-1603912-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2005-12-14 EP disclosed
US-20050227995-A1 Phenyl sulfoxides and phenyl sulfones BAYER HEALTHCARE AG (DE) 2005-10-13 US disclosed
EP-1467723-A1 PHENYL SULFOXIDES AND PHENYL SULFONES Bayer Aktiengesellschaft (DE) 2004-10-20 EP disclosed
WO-2004083209-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 WO disclosed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
WO-2003059335-A1 PHENYL SULFOXIDES AND PHENYL SULFONES BAYER HEALTHCARE AG (DE) 2003-07-24 WO disclosed
WO-2003059335-A1 PHENYL SULFOXIDES AND PHENYL SULFONES BAYER HEALTHCARE AG (DE) 2003-07-24 WO disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO disclosed
US-5885999-A TREATMENT OR PREVENTION OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 1999-03-23 US 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 (4 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-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R ADRB1 213/4885HTR6 324/4885STAT3 968/4885
US-20050227995-A1 Phenyl sulfoxides and phenyl sulfones PSEN1, PSEN2, PRNP ADRB1 1288/4885HTR6 937/4885STAT3 2437/4885
US-20080161326-A1 Novel Sulfone Amide Amide Derivatives NPY1R, NPY2R, NPY5R ADRB1 312/4885HTR6 170/4885STAT3 1686/4885
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R ADRB1 60/4885HTR6 145/4885STAT3 644/4885

“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.