SCHEMBL3326515

SCHEMBL3326515

C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 18/20 0.71
CYP2C9 P11712 2/20 0.61
TACR2 P21452 1/20 0.48

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
SCHEMBL1581353 1.00 TACR3 (0.71) TACR3CYP2C9TACR2
SCHEMBL1581529 0.91 CYP2C9 (0.76) TACR3CYP2C9
SCHEMBL8190138 0.91 CYP2C9 (0.76) TACR3CYP2C9
SCHEMBL1581470 0.86 TACR3 (0.68) TACR3CYP2C9TACR2
SCHEMBL1581131 0.85 TACR3 (0.67) TACR3CYP2C9TACR2
SCHEMBL1581125 0.84 TACR3 (0.53) TACR3CYP2C9TACR2
SCHEMBL3322299 0.84 TACR3 (0.53) TACR3CYP2C9TACR2
SCHEMBL8190048 0.83 TACR3 (0.62) TACR3CYP2C9TACR2
SCHEMBL1580933 0.83 TACR3 (0.62) TACR3CYP2C9TACR2
SCHEMBL1580888 0.82 TACR3 (0.74) TACR3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120850-A1 Quinoline Derivatives, Pharmaceutical Compositions Comprising Them, and Their Use in Treating Central Nervous System and Peripheral Diseases ASTRAZENECA AB (SE) 2010-05-13 US disclosed
US-20100120850-A1 Quinoline Derivatives, Pharmaceutical Compositions Comprising Them, and Their Use in Treating Central Nervous System and Peripheral Diseases ASTRAZENECA AB (SE) 2010-05-13 US disclosed
US-20100120850-A1 Quinoline Derivatives, Pharmaceutical Compositions Comprising Them, and Their Use in Treating Central Nervous System and Peripheral Diseases ASTRAZENECA AB (SE) 2010-05-13 US disclosed
WO-2008115140-A1 QUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THEIR USE IN TREATING CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES ASTRAZENECA AB (SE) 2008-09-25 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-20100120850-A1 Quinoline Derivatives, Pharmaceutical Compositions Comprising Them, and Their Use in Treating Central Nervous System and Peripheral Diseases PMP22, RECQL, ACHE TACR3 531/4885CYP2C9 297/4885TACR2 1434/4885

“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.