SCHEMBL5870907

SCHEMBL5870907

COc1ccc2c(c1)N(C1CCN(CCc3ccc4ncsc4c3)CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
SCD O00767 1/20 0.43
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A4 P31645 3/20 0.38
SIGMAR1 Q99720 2/20 0.37
LTA4H P09960 2/20 0.37
KCNH2 Q12809 2/20 0.37
CCR8 P51685 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
SCHEMBL5871384 0.85 HTR1A (0.53) HTR1ADRD2HTR2ASCDSLC6A4
SCHEMBL5871015 0.84 SIGMAR1 (0.55) HTR1ASCDHTR2CHTR2BSLC6A4
SCHEMBL4073208 0.80 HTR1A (0.55) HTR1ASCDHTR2CHTR2BSLC6A4
SCHEMBL5870925 0.78 HRH3 (0.53) HTR1ADRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL5871514 0.77 HRH3 (0.52) HTR1AHTR2CHTR2BSLC6A4SIGMAR1
SCHEMBL5871294 0.77 HTR1A (0.52) HTR1ASCDHTR2CHTR2BSLC6A4
SCHEMBL5871231 0.76 HTR1A (0.50) HTR1ASCDSLC6A4SIGMAR1
SCHEMBL5871247 0.76 CA1 (0.46) HTR1ADRD2HTR2ASCDHTR2C
SCHEMBL5871766 0.74 HTR1A (0.53) HTR1AHTR2CHTR2BSLC6A4SIGMAR1
SCHEMBL5871500 0.74 HTR1A (0.51) HTR1ASCDHTR2CHTR2BSLC6A4

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