SCHEMBL6575874

SCHEMBL6575874

NCCc1ccc(C(N)CCN)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.48
HTR2A P28223 4/20 0.48
CYP2A6 P11509 2/20 0.48
CYP1A2 P05177 2/20 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
TDP1 Q9NUW8 1/20 0.46
LOXL2 Q9Y4K0 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 2/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL28572891 0.81 HRH1 (0.41) HTR2AALDH1A1KMT2ATDP1LOXL2
SCHEMBL5685307 0.80 GFER (0.54) CYP1A2ALDH1A1CYP2C19TDP1LOXL2
SCHEMBL224548 0.77 TAAR1 (0.72) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL28629507 0.77 EPHX1 (0.50) HTR2ACYP1A2CYP2C19BLMCYP2D6
SCHEMBL5056979 0.77 CYP1A2 (0.44) TAAR1CYP2A6CYP1A2KDM4EALDH1A1
SCHEMBL23287489 0.74 TAAR1 (0.56) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL13557873 0.74 TAAR1 (0.56) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL21540693 0.74 TAAR1 (0.56) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL717640 0.74 TAAR1 (0.56) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL11076863 0.74 DPP4 (0.44) TAAR1LOXL2MAOB

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 TAAR1 95/4885HTR2A 178/4885CYP2A6 745/4885

“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.