SCHEMBL6563339

SCHEMBL6563339

NCCc1cccc2c(CCN)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.54
MPO P05164 2/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2A P28223 5/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2A6 P11509 1/20 0.48
NFKB1 P19838 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
CTSK P43235 1/20 0.48
HTR6 P50406 1/20 0.48
CYP2A13 Q16696 1/20 0.48
PMP22 Q01453 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL17537729 0.89 TAAR1 (0.54) TAAR1MPOSLC6A4HTR2ACYP1A2
SCHEMBL733614 0.89 CYP3A4 (0.56) TAAR1MPOSLC6A4HTR2ACYP1A2
SCHEMBL9694974 0.89 TAAR1 (0.61) TAAR1MPOSLC6A4HTR2ACYP1A2
SCHEMBL29592386 0.89 CYP3A4 (0.56) TAAR1MPOSLC6A4HTR2ACYP1A2
Hydrochloric Acid SCHEMBL20561882 0.87 TAAR1 (0.59) TAAR1MPOSLC6A4HTR2ACYP1A2
Hydrochloric Acid SCHEMBL6563311 0.86 PMP22 (0.55) TAAR1MPOSLC6A4HTR2ACYP1A2
Hydrochloric Acid SCHEMBL6564898 0.86 PMP22 (0.55) TAAR1MPOSLC6A4HTR2ACYP1A2
SCHEMBL134400 0.85 CYP1A2 (0.54) TAAR1SLC6A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL20563155 0.85 TAAR1 (0.61) TAAR1HTR2ACYP1A2CYP2A6PMP22
Iodide SCHEMBL31402351 0.84 CYP1A2 (0.52) TAAR1SLC6A4CYP1A2CYP2D6

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 TAAR1 376/4885MPO 1376/4885SLC6A4 38/4885

“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.