SCHEMBL5871805

SCHEMBL5871805

N#CCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
HTR2C P28335 5/20 0.37
HTR2A P28223 4/20 0.37
KCNH2 Q12809 4/20 0.37
DRD2 P14416 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CCR3 P51677 1/20 0.36
HTR1A P08908 2/20 0.36
SLC6A4 P31645 1/20 0.36
SCD O00767 4/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1F P30939 1/20 0.35
OPRM1 P35372 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL5871263 0.87 MCHR1 (0.43) MCHR1HTR2CHTR2AKCNH2DRD2
SCHEMBL5871652 0.87 SCD (0.45) MCHR1HTR1ASLC6A4SCDHTR1D
SCHEMBL5871288 0.86 HTR2A (0.44) HTR2CHTR2AHTR1ASCDHTR1D
SCHEMBL5871576 0.83 MCHR1 (0.42) MCHR1CCR3HTR1AHTR1DHTR1B
SCHEMBL5871400 0.83 MCHR1 (0.40) MCHR1HTR2CHTR2AKCNH2DRD2
SCHEMBL5872028 0.82 OPRM1 (0.45) MCHR1HTR2CHTR2AKCNH2DRD2
SCHEMBL5871806 0.81 MCHR1 (0.41) MCHR1HTR2CHTR2AKCNH2DRD2
SCHEMBL4076983 0.81 CACNA1G (0.42) MCHR1HTR2CHTR2ADRD2CCR3
SCHEMBL4076979 0.81 CACNA1G (0.42) MCHR1HTR2CHTR2ADRD2CCR3
SCHEMBL5871810 0.76 SCD (0.35) HTR2CKCNH2HTR1ASCDHTR1D

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 MCHR1 325/4885HTR2C 222/4885HTR2A 209/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 MCHR1 588/4885HTR2C 107/4885HTR2A 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.