SCHEMBL2013005

SCHEMBL2013005

CSCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(C)(C(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 14/20 0.59
LMNA P02545 2/20 0.48
TACR2 P21452 5/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.43
PDE10A Q9Y233 1/20 0.43
OPRM1 P35372 1/20 0.42
KCNH2 Q12809 1/20 0.42
TRPV4 Q9HBA0 1/20 0.41

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
SCHEMBL2007335 0.85 CYP2D6 (0.62) TACR3LMNACYP2D6CYP2C19TSHR
SCHEMBL4993354 0.84 LMNA (0.47) TACR3LMNATACR2TP53TSHR
SCHEMBL4984967 0.84 LMNA (0.47) TACR3LMNATACR2TP53TSHR
SCHEMBL2053743 0.80 TACR3 (0.58) TACR3LMNACYP2D6CYP2C19TSHR
SCHEMBL1581164 0.79 CYP2D6 (0.66) TACR3LMNATACR2CYP2D6CYP2C19
SCHEMBL5049691 0.77 TACR3 (0.61) TACR3LMNATACR2CYP2D6CYP2C19
SCHEMBL1581160 0.76 TACR3 (0.77) TACR3TACR2CYP2D6CYP2C19OPRM1
SCHEMBL8249659 0.76 PDE10A (0.59) TACR3TACR2CYP2C19TP53TSHR
SCHEMBL4237203 0.75 TACR3 (0.72) TACR3KCNH2
SCHEMBL1581308 0.74 TACR3 (1.00) TACR3TACR2CYP2D6CYP2C19TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964733-B2 to potentiate the effects of the other CNS agents; probes for the localization of cell surface receptors;3-(methylthio)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide; depression, anxiety, schizophrenia, cognitive disorders, obesity, irritable bowel syndrome, emesis, pre-eclampsia, etc. ASTRAZENECA AB (SE) 2011-06-21 US disclosed
US-20080214605-A1 Alkyl Sulfoxide Quinolines as Nk-3 Receptor Ligands ASTRAZENECA AB (SE) 2008-09-04 US 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-20080214605-A1 Alkyl Sulfoxide Quinolines as Nk-3 Receptor Ligands MSR1, KCNQ3, KCNA3 TACR3 13/4885LMNA 3570/4885TACR2 6/4885

“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.