SCHEMBL6563337

SCHEMBL6563337

NCCCc1ccc(CCN)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.68
TAAR1 Q96RJ0 9/20 0.59
CYP2A6 P11509 2/20 0.59
CYP1A2 P05177 1/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
SLC6A2 P23975 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTR3A P46098 1/20 0.59
BACE1 P56817 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LOXL2 Q9Y4K0 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAOA P21397 1/20 0.56
HRH1 P35367 1/20 0.50

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 SCHEMBL6563435 0.97 HTR2A (0.65) HTR2ATAAR1CYP2A6CYP1A2KDM4E
SCHEMBL3678682 0.94 MAOA (0.62) HTR2ATAAR1CYP2A6CYP1A2KDM4E
Hydrochloric Acid SCHEMBL6561599 0.91 MAOA (0.59) HTR2ATAAR1CYP2A6CYP1A2KDM4E
SCHEMBL6313123 0.91 HTR2A (0.80) HTR2ATAAR1CYP2A6CYP1A2KDM4E
SCHEMBL238409 0.89 GFER (0.65) HTR2ATAAR1CYP2A6CYP1A2KDM4E
SCHEMBL224548 0.87 TAAR1 (0.72) HTR2ATAAR1CYP2A6CYP1A2KDM4E
SCHEMBL6314062 0.86 MAOA (0.54) HTR2ATAAR1CYP2A6CYP1A2LOXL2
SCHEMBL15245000 0.86 AKT2 (0.62) HTR2ATAAR1CYP2A6CYP1A2MAOA
SCHEMBL3680378 0.85 MAOA (0.75) HTR2ATAAR1CYP2A6CYP1A2KDM4E
Hydrochloric Acid SCHEMBL3668004 0.84 BLM (0.74) HTR2ATAAR1CYP2A6CYP1A2KDM4E

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 HTR2A 303/4885TAAR1 376/4885CYP2A6 1676/4885

“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.