SCHEMBL5871891

SCHEMBL5871891

N#Cc1ccc(CCO)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.42
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CDK1 P06493 6/20 0.39
KDR P35968 6/20 0.39
CA2 P00918 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
CHEK1 O14757 2/20 0.37
AR P10275 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ACACB O00763 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX5 P09917 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL453185 0.84 CHEK1 (0.44) GRM2FFAR1FFAR4EGLN1CHEK1
SCHEMBL3051067 0.81 CHRNA7 (0.41) GRM2FFAR1FFAR4CHEK1TDP1
SCHEMBL5871776 0.81 AR (0.39) GRM2FFAR1FFAR4EGLN1CHEK1
SCHEMBL13061999 0.81 RAB9A (0.41) GRM2FFAR1FFAR4ARTDP1
SCHEMBL10390335 0.79 FFAR1 (0.45) GRM2FFAR1FFAR4CHEK1ALDH1A1
SCHEMBL2949082 0.79 FFAR1 (0.64) FFAR1FFAR4
SCHEMBL10465159 0.78 L3MBTL1 (0.50) CA2TDP1ACACBKDM4EALDH1A1
SCHEMBL27001735 0.78 ALOX5AP (0.38) GRM2EGLN1CHEK1ARALDH1A1
SCHEMBL2323227 0.78 GRM2 (0.41) GRM2FFAR1FFAR4EGLN1AR
SCHEMBL30404220 0.77 GRM2 (0.38) GRM2FFAR1FFAR4CHEK1AR

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
EP-3148995-B1 6-SUBSTITUTED-3H-1,3-BENZOTHIAZOL-2-ONE COMPOUNDS AS TARP-GAMMA 8 DEPENDENT AMPA RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2020-09-23 EP disclosed
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 GRM2 696/4885FFAR1 3449/4885FFAR4 3351/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 GRM2 413/4885FFAR1 2862/4885FFAR4 2927/4885

“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.