SCHEMBL5870925

SCHEMBL5870925

COc1ccc(CCN2CCC(N3CCCc4ccc(OC)cc43)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.53
SIGMAR1 Q99720 3/20 0.52
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
HTR1A P08908 4/20 0.50
SLC6A4 P31645 4/20 0.50
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45

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
Hydrochloric Acid SCHEMBL5871514 0.99 HRH3 (0.52) HRH3SIGMAR1HTR2CHTR2BHTR1A
SCHEMBL5871766 0.94 HTR1A (0.53) HRH3SIGMAR1HTR2CHTR2BHTR1A
SCHEMBL5871015 0.93 SIGMAR1 (0.55) HRH3SIGMAR1HTR2CHTR2BHTR1A
Hydrochloric Acid SCHEMBL5871695 0.93 HTR1A (0.52) HRH3SIGMAR1HTR2CHTR2BHTR1A
SCHEMBL4073208 0.87 HTR1A (0.55) HRH3SIGMAR1HTR2CHTR2BHTR1A
SCHEMBL5871294 0.86 HTR1A (0.52) HRH3SIGMAR1HTR2CHTR2BHTR1A
SCHEMBL5871231 0.85 HTR1A (0.50) HRH3SIGMAR1HTR1ASLC6A4
SCHEMBL7217952 0.83 HTR2C (0.47) HRH3HTR2CHTR2BDRD2
SCHEMBL5871247 0.83 CA1 (0.46) SIGMAR1HTR2CHTR2BHTR1ASLC6A4
Hydrochloric Acid SCHEMBL5871958 0.83 HTR2C (0.46) HRH3HTR2CHTR2BDRD2

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 9 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 claimed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 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
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 HRH3 510/4885SIGMAR1 1200/4885HTR2C 222/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HRH3 373/4885SIGMAR1 523/4885HTR2C 107/4885

“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.