SCHEMBL5872010

SCHEMBL5872010

CC(=O)Nc1ccc2c(c1)N(C1CCN(CCCOc3ccc(F)cc3)CC1)C(C)C2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.52
DRD2 P14416 6/20 0.52
HTR1A P08908 4/20 0.52
HTR2C P28335 3/20 0.52
ADRA2A P08913 2/20 0.52
ADRA1D P25100 2/20 0.52
ADRA1A P35348 2/20 0.52
HRH1 P35367 2/20 0.52
ADRA1B P35368 2/20 0.52
HTR6 P50406 2/20 0.52
KCNH2 Q12809 2/20 0.52
HTR2B P41595 1/20 0.48
EPHX2 P34913 1/20 0.44

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
SCHEMBL5871359 0.88 HTR2A (0.49) HTR2ADRD2HTR1AHTR2CADRA2A
SCHEMBL5871581 0.87 HTR2A (0.48) HTR2ADRD2HTR1AHTR2CHTR2B
SCHEMBL5871360 0.86 HTR2A (0.51) HTR2ADRD2HTR1AHTR2CHTR6
SCHEMBL5871272 0.83 HTR2A (0.48) HTR2ADRD2HTR1AHTR2CADRA2A
SCHEMBL5871191 0.81 HTR2C (0.49) HTR2ADRD2HTR1AHTR2CHTR6
SCHEMBL5871473 0.81 HTR2A (0.49) HTR2ADRD2HTR1AHTR2CHTR2B
SCHEMBL5871547 0.80 HTR2A (0.48) HTR2ADRD2HTR1AHTR2CKCNH2
SCHEMBL5871043 0.77 HTR2A (0.51) HTR2ADRD2HTR2CKCNH2HTR2B
SCHEMBL5871719 0.76 HTR2A (0.54) HTR2ADRD2HTR2CHTR2B
SCHEMBL5871736 0.76 HTR2A (0.43) HTR2AHTR1AHTR2CHTR6HTR2B

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
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
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 209/4885DRD2 51/4885HTR1A 17/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2A 143/4885DRD2 54/4885HTR1A 14/4885

“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.