SCHEMBL6575879

SCHEMBL6575879

NCCNCc1ccc(CCN)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.53
MC5R P33032 2/20 0.53
HTR2A P28223 4/20 0.50
SIGMAR1 Q99720 3/20 0.50
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
TAAR1 Q96RJ0 7/20 0.48
CYP2A6 P11509 2/20 0.48
CYP1A2 P05177 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
SLC6A2 P23975 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR3A P46098 1/20 0.48
BACE1 P56817 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL13521675 0.91 MC4R (0.61) MC4RMC5RSIGMAR1CYP1A2ALDH1A1
SCHEMBL16790618 0.88 CHRM2 (0.48) MC4RMC5RHTR2ASIGMAR1GAA
SCHEMBL11049168 0.86 MC4R (0.53) MC4RMC5RHTR2AALDH1A1KMT2A
SCHEMBL13528546 0.86 MAOA (0.60) MC4RMC5RSIGMAR1CYP1A2CYP2C19
SCHEMBL14524279 0.85 HRH4 (0.53) MC4RMC5RHTR2ASIGMAR1GAA
SCHEMBL14430120 0.84 MC4R (0.55) MC4RMC5RKMT2ATDP1SMN1; SMN2
SCHEMBL6573307 0.83 MC4R (0.50) MC4RMC5RSIGMAR1KDM4EALDH1A1
SCHEMBL7209237 0.82 HTR2A (0.63) HTR2ASIGMAR1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL12085525 0.81 MC4R (0.63) MC4RMC5RSIGMAR1CYP1A2CYP2C19
Phenethylamine SCHEMBL9229966 0.81 GAA (0.77) HTR2ASIGMAR1GAAMAPTTAAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147612-A1 Sulfonamide derivatives DAVISON JOSHUA ZWICK (US) 2004-07-29 US disclosed
EP-1409452-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2002098846-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 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-20040147612-A1 Sulfonamide derivatives GRIN1, GRIN2A, GRIA1 MC4R 1641/4885MC5R 757/4885HTR2A 178/4885

“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.