SCHEMBL5871687

SCHEMBL5871687

COc1ccc2c(c1)N(C1CCNCC1)CCC2

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.70
HTR2B P41595 10/20 0.70
SIGMAR1 Q99720 1/20 0.46
HTR6 P50406 2/20 0.45
SCD O00767 1/20 0.44
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2A P28223 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42

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
SCHEMBL5871641 0.92 HTR2C (0.65) HTR2CHTR2BHTR6SCDDRD2
SCHEMBL26675973 0.83 HTR2C (0.60) HTR2CHTR2BHTR6HTR2AHTR3E
SCHEMBL5870925 0.77 HRH3 (0.53) HTR2CHTR2BSIGMAR1DRD2HTR2A
Hydrochloric Acid SCHEMBL5871514 0.77 HRH3 (0.52) HTR2CHTR2BSIGMAR1
SCHEMBL11822826 0.76 HTR2C (0.77) HTR2CHTR2BHTR6HTR2A
SCHEMBL5871428 0.76 HTR2C (0.83) HTR2CHTR2BSIGMAR1HTR2A
SCHEMBL5872278 0.75 HTR2C (0.49) HTR2CHTR2BHTR6DRD3HTR2A
SCHEMBL5871766 0.74 HTR1A (0.53) HTR2CHTR2BSIGMAR1
SCHEMBL7261304 0.74 HSD17B10 (0.51) HTR2CHTR2BDRD2DRD1DRD4
SCHEMBL6719027 0.73 HTR2C (0.60) HTR2CHTR2BHTR6HTR2AHTR3E

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 91/4885SIGMAR1 1200/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2C 107/4885HTR2B 45/4885SIGMAR1 523/4885

“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.