SCHEMBL5871124

SCHEMBL5871124

COc1ccc2c(c1)N(C1CCN(CC(OC(=O)C(=O)OC(CN3CCC(N4CCCc5ccc(OC)cc54)CC3)c3ccc(F)cc3)c3ccc(F)cc3)CC1)CCC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.43
HTR2B P41595 2/20 0.43
AGTR2 P50052 3/20 0.41
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MC4R P32245 1/20 0.37
SCN1A P35498 2/20 0.37
SCN5A Q14524 2/20 0.37
SCN9A Q15858 2/20 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
SCHEMBL5871067 0.86 HTR2C (0.46) HTR2CHTR2BAGTR2HTR1AHTR1D
Oxalic Acid SCHEMBL5871121 0.86 MEN1 (0.43) HTR2CHTR2BAGTR2HTR1AHTR1D
SCHEMBL5870958 0.85 HTR2C (0.47) HTR2CHTR2BAGTR2HTR1AHTR1D
Hydrochloric Acid SCHEMBL5872146 0.84 HTR2C (0.46) HTR2CHTR2BAGTR2HTR1AHTR1D
SCHEMBL5871741 0.81 ALDH1A1 (0.47) HTR2CHTR2BHTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL5871841 0.80 ALDH1A1 (0.47) HTR2CHTR2BHTR1AHTR1DHTR1B
SCHEMBL5871766 0.78 HTR1A (0.53) HTR2CHTR2BHTR1AMEN1KMT2A
Hydrochloric Acid SCHEMBL5871695 0.77 HTR1A (0.52) HTR2CHTR2BHTR1AMEN1KMT2A
SCHEMBL4073208 0.71 HTR1A (0.55) HTR2CHTR2BHTR1AHTR1DHTR1B
SCHEMBL5870925 0.71 HRH3 (0.53) HTR2CHTR2BHTR1ADRD2HTR2A

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 6 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
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 91/4885AGTR2 1644/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2C 107/4885HTR2B 45/4885AGTR2 2193/4885

“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.