SCHEMBL5871284

SCHEMBL5871284

Cc1cc2ccc(NS(C)(=O)=O)cc2n1C1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 1/20 0.45
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
MOGAT2 Q3SYC2 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA13 Q8N1Q1 2/20 0.39
CA14 Q9ULX7 2/20 0.39
KCNH2 Q12809 3/20 0.39

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
SCHEMBL5871548 0.85 MCHR1 (0.46) HTR2AHTR2CHTR7HTR6MCHR1
SCHEMBL5871603 0.83 HTR2A (0.43) SMN1; SMN2HTR2AHTR2CHTR7HTR6
SCHEMBL5871162 0.83 HTR2A (0.43) SMN1; SMN2HTR2AHTR2CHTR7HTR6
SCHEMBL5871451 0.83 ALDH1A1 (0.42) LMNASMN1; SMN2HTR2AHTR2CHTR7
SCHEMBL5870994 0.83 CCR3 (0.43) HTR2AHTR2CHTR7HTR6MEN1
SCHEMBL7225051 0.83 MCHR1 (0.48) HTR2AHTR2CHTR7HTR6MCHR1
SCHEMBL5871460 0.80 HTR2A (0.52) LMNAHTR2AHTR2CHTR7HTR6
SCHEMBL5871240 0.80 MCHR1 (0.47) HTR2AMCHR1KDM4E
SCHEMBL5204133 0.79 HTR2A (0.49) HTR2AHTR2CHTR7HTR6MEN1
SCHEMBL5871119 0.79 MCHR1 (0.48) HTR2AHTR2CHTR7CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US claimed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US claimed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP claimed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP 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 (2 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-20020019531-A1 Indoles INMT, MUSK, MB LMNA 1318/4885SMN1; SMN2 39/4885HSD17B10 3752/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 LMNA 1288/4885SMN1; SMN2 81/4885HSD17B10 4043/4885

“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.