SCHEMBL5871352

SCHEMBL5871352

Fc1ccc(Cc2c[nH]c3ccccc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
HTR6 P50406 2/20 0.71
GPR84 Q9NQS5 5/20 0.69
AHR P35869 3/20 0.67
CYP3A4 P08684 2/20 0.67
MAPT P10636 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
SSTR1 P30872 1/20 0.53
SSTR4 P31391 1/20 0.53
SSTR3 P32745 1/20 0.53
NR4A2 P43354 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
SIRT1 Q96EB6 1/20 0.51
HTR2A P28223 2/20 0.50
MPO P05164 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2A6 P11509 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL553605 0.85 MEN1 (1.00) MEN1KMT2AHTR6GPR84AHR
SCHEMBL30648199 0.85 MEN1 (1.00) MEN1KMT2AHTR6GPR84AHR
SCHEMBL5774387 0.83 MEN1 (0.74) MEN1KMT2AHTR6GPR84AHR
SCHEMBL28781646 0.83 MEN1 (0.74) MEN1KMT2AHTR6GPR84AHR
SCHEMBL3086792 0.83 MEN1 (0.74) MEN1KMT2AHTR6GPR84AHR
SCHEMBL16431661 0.83 MEN1 (0.74) MEN1KMT2AHTR6GPR84AHR
SCHEMBL147220 0.83 KMT2A (0.74) MEN1KMT2AHTR6GPR84AHR
SCHEMBL3970092 0.83 MEN1 (0.74) MEN1KMT2AHTR6GPR84AHR
SCHEMBL4224120 0.83 HTR6 (1.00) MEN1KMT2AHTR6GPR84AHR
SCHEMBL21399605 0.82 MEN1 (0.68) MEN1KMT2AHTR6GPR84AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN 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
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN 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 MEN1 424/4885KMT2A 1128/4885HTR6 313/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 MEN1 574/4885KMT2A 1347/4885HTR6 424/4885

“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.