SCHEMBL5871025

SCHEMBL5871025

CC(=O)Nc1ccc2c(c1)N(C1CCNCC1)C(C)C2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.69
HTR2B P41595 5/20 0.69
HTR2A P28223 4/20 0.69
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 1/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4A O75164 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OPRD1 P41143 1/20 0.40
RAB9A P51151 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 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
SCHEMBL5359110 0.82 HTR2A (1.00) HTR2CHTR2BHTR2ACHRNB2CHRNA4
SCHEMBL5359106 0.82 HTR2A (1.00) HTR2CHTR2BHTR2ACHRNB2CHRNA4
SCHEMBL7150518 0.82 HTR2A (1.00) HTR2CHTR2BHTR2ACHRNB2CHRNA4
SCHEMBL5871719 0.79 HTR2A (0.54) HTR2CHTR2BHTR2AKDM4EALDH1A1
SCHEMBL5871043 0.76 HTR2A (0.51) HTR2CHTR2BHTR2AKDM4EALDH1A1
SCHEMBL5871360 0.76 HTR2A (0.51) HTR2CHTR2BHTR2AKDM4EALDH1A1
SCHEMBL5871191 0.74 HTR2C (0.49) HTR2CHTR2BHTR2AKDM4EALDH1A1
SCHEMBL5871359 0.74 HTR2A (0.49) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL5871473 0.74 HTR2A (0.49) HTR2CHTR2BHTR2AKDM4EALDH1A1
SCHEMBL5871272 0.74 HTR2A (0.48) HTR2CHTR2BHTR2AKDM4EALDH1A1

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 7 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
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 HTR2C 222/4885HTR2B 91/4885HTR2A 209/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2C 107/4885HTR2B 45/4885HTR2A 143/4885

“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.