SCHEMBL5871368

SCHEMBL5871368

Fc1ccc(C2CNc3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
HRH3 Q9Y5N1 4/20 0.41
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK2 O60674 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4001774 0.85 MEN1 (0.52) MAPTMEN1CYP3A4CYP2D6KMT2A
Hydrochloric Acid SCHEMBL11553849 0.83 MEN1 (0.50) GAAMAPTMEN1CYP3A4CYP2D6
SCHEMBL8543734 0.83 HTR2A (0.46) HTR2AHTR2CHTR2BHRH3MEN1
SCHEMBL11516181 0.82 SLC6A2 (0.44) PRCPHTR2AHTR2CHTR2BHRH3
SCHEMBL8540865 0.82 ESR2 (0.41) GAAMAPTHTR2BMEN1CYP3A4
SCHEMBL8540341 0.79 SLC6A2 (0.42) MAPTMEN1CYP3A4CYP2D6KMT2A
SCHEMBL8540456 0.78 PAX8 (0.47) GAAMAPTMEN1KMT2AJAK2
SCHEMBL2347871 0.77 SLC6A2 (0.46) MAPTMEN1CYP2D6KMT2A
Formamide SCHEMBL11551135 0.76 MEN1 (0.44) MAPTMEN1CYP3A4CYP2D6KMT2A
SCHEMBL2362933 0.72 ESR2 (0.50) PRCPGAAMAPTHTR2AHTR2C

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 12 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
EP-0721949-B1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE CO (JP) 1998-01-07 EP disclosed
US-5677326-A GASTROINTESTINAL DISORDERS TOKYO TANABE COMPANY LIMITED (JP) 1997-10-14 US disclosed
EP-0721949-A1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE COMPANY LIMITED (JP) 1996-07-17 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 PRCP 3744/4885GAA 4870/4885MAPT 2798/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 PRCP 3526/4885GAA 4800/4885MAPT 3650/4885

“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.