SCHEMBL6564877

SCHEMBL6564877

NCCCc1ccc(CN)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TAAR1 Q96RJ0 4/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
MAOA P21397 1/20 0.38
MPO P05164 1/20 0.37
HTR2A P28223 1/20 0.36
CYP2A6 P11509 1/20 0.36
PNMT P11086 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
MAPT P10636 1/20 0.35
DRD2 P14416 1/20 0.35
ALOX15 P16050 1/20 0.35
DRD1 P21728 1/20 0.35

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 SCHEMBL6563201 0.98 CYP1A2 (0.40) CYP2D6CYP1A2CYP2C19TAAR1LOXL2
SCHEMBL6563067 0.88 TAAR1 (0.52) CYP2D6CYP1A2TAAR1CYP2A6PNMT
Hydrochloric Acid SCHEMBL6563097 0.86 TAAR1 (0.50) CYP2D6TAAR1PNMTKDM4EALDH1A1
SCHEMBL2007285 0.83 LOXL2 (0.48) TAAR1LOXL2CYP2A6PNMT
SCHEMBL28061149 0.82 KDM4E (0.44) CYP2D6TAAR1LOXL2KDM4EALDH1A1
SCHEMBL895460 0.81 CYP2D6 (0.49) CYP2D6CYP1A2CYP2C19TAAR1MAOA
SCHEMBL23413337 0.78 ALDH1A1 (0.46) CYP2D6CYP1A2CYP2C19TAAR1MAOA
SCHEMBL2389571 0.78 TAAR1 (0.45) CYP1A2TAAR1LOXL2CYP2A6ALDH1A1
SCHEMBL2948434 0.78 CYP4F2 (0.40) TAAR1LOXL2SLC6A2
SCHEMBL10404942 0.77 CYP1A2 (0.44) CYP2D6CYP1A2CYP2C19MAOAHTR2A

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 CYP2D6 1694/4885CYP1A2 1667/4885CYP2C19 2069/4885

“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.