SCHEMBL5564069

SCHEMBL5564069

CS(=O)(=O)NCc1ccccc1N1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 1/20 0.55
HTR1A P08908 4/20 0.50
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
DRD4 P21917 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
BRD9 Q9H8M2 1/20 0.50
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 1/20 0.49
ADRB1 P08588 3/20 0.49
HTR6 P50406 2/20 0.47
MC4R P32245 1/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 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
Hydrochloric Acid SCHEMBL8336633 0.99 SETDB1 (0.53) SETDB1HTR1ADRD2DRD3DRD4
SCHEMBL14355981 0.87 HTR1A (0.52) SETDB1HTR1ADRD2DRD3DRD4
SCHEMBL14355983 0.83 HTR6 (0.55) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL22547353 0.82 GUSB (0.46) SETDB1HTR1AHTR2AHTR2CSLC6A4
SCHEMBL16814964 0.80 HTR1A (0.55) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL31561598 0.80 HTR1A (0.73) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL335802 0.80 HTR1A (0.73) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL28078181 0.80 HTR1A (0.73) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL20883683 0.79 HTR6 (0.37) SETDB1HTR1ADRD2DRD3DRD4
SCHEMBL7956809 0.79 SETDB1 (0.53) SETDB1HTR1ABRD9MC4RCYP2C19

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-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1603912-B1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2007-07-18 EP 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
WO-2004083209-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 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-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R SETDB1 2515/4885HTR1A 72/4885DRD2 134/4885

“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.