SCHEMBL2053743

SCHEMBL2053743

CC(NC(=O)c1c(S(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)(C(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 11/20 0.58
PDE10A Q9Y233 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.42
DHODH Q02127 3/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.40

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 0.81 CYP2D6 (0.62) TACR3PDE10ATSHRLMNADHODH
SCHEMBL2013005 0.80 TACR3 (0.59) TACR3PDE10ATSHRLMNACYP2D6
SCHEMBL4993354 0.79 LMNA (0.47) TACR3PDE10ATSHRLMNA
SCHEMBL4984967 0.79 LMNA (0.47) TACR3PDE10ATSHRLMNA
SCHEMBL5048810 0.77 LMNA (0.71) TACR3LMNA
SCHEMBL27745159 0.77 TACR3 (0.60) TACR3PDE10ATSHRLMNADHODH
SCHEMBL8249659 0.76 PDE10A (0.59) TACR3PDE10ATSHRDHODHCYP2C19
SCHEMBL1581400 0.76 TACR3 (0.75) TACR3TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL7686463 0.75 TSHR (0.56) TACR3PDE10ATSHRDHODHCYP2C19
SCHEMBL7686462 0.75 TSHR (0.56) TACR3PDE10ATSHRDHODHCYP2C19

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 13/4885PDE10A 3017/4885TSHR 258/4885

“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.