SCHEMBL6562985

SCHEMBL6562985

NCCc1ccc(CCN)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.48
CHRNA7 P36544 1/20 0.47
TAAR1 Q96RJ0 11/20 0.43
HTR2A P28223 3/20 0.43
CYP2A6 P11509 2/20 0.43
LOXL2 Q9Y4K0 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTR1A P08908 2/20 0.43
ADRA2A P08913 2/20 0.43
SLC6A2 P23975 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
HTR3A P46098 1/20 0.43
BACE1 P56817 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11627706 0.85 HRH3 (0.56) HRH1TAAR1HTR2ACYP2A6KDM4E
SCHEMBL16935090 0.85 TAAR1 (0.54) CHRNA7TAAR1HTR2ACYP2A6LOXL2
SCHEMBL6705826 0.85 HRH1 (0.44) HRH1CHRNA7TAAR1HTR2ACYP2A6
SCHEMBL7001028 0.85 HTR2A (0.52) HRH1TAAR1HTR2AKDM4EALDH1A1
SCHEMBL6478654 0.83 CYP2A6 (0.50) HRH1CHRNA7HTR2ACYP2A6KDM4E
SCHEMBL7094583 0.79 HRH1 (0.50) HRH1HTR2ACYP2A6CYP1A2HRH3
SCHEMBL7003732 0.79 GABRP (0.59) HRH1KDM4EALDH1A1TDP1BLM
SCHEMBL7210408 0.79 HRH1 (0.50) HRH1CHRNA7LOXL2KDM4EADRA2A
SCHEMBL25054208 0.77 GABRP (0.52) CHRNA7TAAR1HTR2ACYP2A6LOXL2
SCHEMBL6705589 0.77 HRH3 (0.51) KDM4EALDH1A1CYP1A2L3MBTL1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296945-B1 SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6703425-B2 ADMINISTERING GLUTAMATE RECEPTOR POTENTIATOR TO TREAT PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY 2004-03-09 US disclosed
US-20030229102-A1 Sulfonamide derivatives ELI LILLY AND COMPANY 2003-12-11 US disclosed
EP-1296945-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-04-02 EP disclosed
WO-2001096289-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-12-20 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-20030229102-A1 Sulfonamide derivatives GRIN1, GRIN2A, SLC1A2 HRH1 1069/4885CHRNA7 408/4885TAAR1 376/4885

“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.