SCHEMBL6561624

SCHEMBL6561624

N#Cc1ccc(CCCN)cc1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.52
DAO P14920 2/20 0.50
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP11B1 P15538 6/20 0.40
CYP11B2 P19099 6/20 0.40
NSD2 O96028 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP19A1 P11511 1/20 0.38
KDM1A O60341 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL6564705 0.89 TRPV4 (0.55) TRPV4DAOKCNJ1KCNH2CYP11B1
Hydrochloric Acid SCHEMBL28803020 0.87 TRPV4 (0.53) TRPV4DAOKCNJ1KCNH2CYP11B1
SCHEMBL4825303 0.84 TRPV4 (0.50) TRPV4DAOKCNJ1KCNH2CYP11B1
SCHEMBL11963202 0.84 TRPV4 (0.50) TRPV4DAOKCNJ1KCNH2CYP11B1
SCHEMBL6411198 0.84 TRPV4 (0.50) TRPV4DAOKCNJ1KCNH2CYP11B1
SCHEMBL3158141 0.83 TRPV4 (0.57) TRPV4DAOKCNJ1KCNH2CYP11B1
SCHEMBL9240972 0.83 HSD17B10 (0.49) TRPV4DAOKCNJ1KCNH2CYP11B1
Hydrochloric Acid SCHEMBL21798388 0.81 TRPV4 (0.55) TRPV4DAOKCNJ1KCNH2CYP11B1
Hydrochloric Acid SCHEMBL6778748 0.81 TRPV4 (0.55) TRPV4DAOKCNJ1KCNH2CYP11B1
SCHEMBL4821602 0.80 TRPV4 (0.46) TRPV4DAOKCNJ1KCNH2CYP11B1

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 TRPV4 869/4885DAO 966/4885KCNJ1 440/4885

“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.