SCHEMBL5871576

SCHEMBL5871576

O=C(O)Cc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
OPRM1 P35372 2/20 0.41
SLC22A12 Q96S37 1/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
CCR3 P51677 1/20 0.39
CACNA1G O43497 1/20 0.39
KDM1A O60341 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL5871652 0.88 SCD (0.45) MCHR1OPRM1HTR1AHTR1DHTR1B
SCHEMBL5871263 0.86 MCHR1 (0.43) MCHR1OPRM1HTR1AHTR1DHTR1B
SCHEMBL5870947 0.86 HTR1A (0.49) HTR1AHTR1DHTR1BHTR1F
SCHEMBL4076983 0.85 CACNA1G (0.42) MCHR1OPRM1HTR1AHTR1DHTR1B
SCHEMBL4076979 0.85 CACNA1G (0.42) MCHR1OPRM1HTR1AHTR1DHTR1B
SCHEMBL5871805 0.83 MCHR1 (0.41) MCHR1OPRM1HTR1AHTR1DHTR1B
SCHEMBL5204575 0.83 OPRM1 (0.47) MCHR1OPRM1SIGMAR1CCR3CACNA1G
SCHEMBL5871806 0.82 MCHR1 (0.41) MCHR1OPRM1HTR1AHTR1DHTR1B
SCHEMBL5871400 0.82 MCHR1 (0.40) MCHR1OPRM1HTR1AHTR1DHTR1B
SCHEMBL5871055 0.81 HTR2A (0.48) HTR1AHTR1DHTR1BHTR1F

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 325/4885OPRM1 471/4885SLC22A12 1962/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 MCHR1 588/4885OPRM1 340/4885SLC22A12 2821/4885

“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.