SCHEMBL5871176

SCHEMBL5871176

CC(=O)NCc1ccc2ccn(C3CCN(CCc4cccnc4)CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
LMNA P02545 3/20 0.42
DRD2 P14416 2/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.39
DRD4 P21917 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR1A P08908 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37

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
SCHEMBL5872025 0.85 CACNA1G (0.45) HTR2AHTR2CHTR2BDRD2SLC6A4
SCHEMBL5871544 0.84 HTR1A (0.50) HTR2AHTR2CHTR2BDRD2SLC6A4
SCHEMBL5871470 0.84 HTR2A (0.47) HTR2AHTR2CHTR2BDRD2SLC6A4
SCHEMBL5871938 0.84 HTR2A (0.47) HTR2AHTR2CHTR2BDRD2SLC6A4
SCHEMBL5871006 0.83 HTR2A (0.45) HTR2AHTR2CHTR2BLMNATSHR
SCHEMBL5871062 0.82 DRD2 (0.58) HTR2AHTR2CHTR2BDRD2SLC6A4
SCHEMBL4076926 0.81 HTR2A (0.44) HTR2AHTR2CHTR2BDRD2SLC6A4
SCHEMBL5871236 0.79 HTR1A (0.48) HTR2AHTR2CHTR2BDRD2SLC6A4
SCHEMBL5871029 0.79 HTR1A (0.44) HTR2AHTR2CHTR2BDRD2HTR1A
SCHEMBL5871115 0.79 HTR2A (0.49) HTR2AHTR2CHTR2BDRD2KDM4E

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 11 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
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
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 HTR2A 209/4885HTR2C 222/4885HTR2B 91/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2A 143/4885HTR2C 107/4885HTR2B 45/4885

“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.