SCHEMBL5871708

SCHEMBL5871708

COc1ccc2c(c1)C(N1CCN(CCc3ccc(F)cc3)CC1)CCCC2

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 9/20 0.54
SIGMAR1 Q99720 2/20 0.52
HTR1A P08908 1/20 0.51
SLC6A4 P31645 1/20 0.51
MTNR1A P48039 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48

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
SCHEMBL5872403 0.98 MTNR1B (0.56) MTNR1BSIGMAR1HTR1ASLC6A4MTNR1A
Hydrochloric Acid SCHEMBL5870972 0.97 MTNR1B (0.56) MTNR1BSIGMAR1HTR1ASLC6A4MTNR1A
SCHEMBL5871287 0.94 MTNR1B (0.55) MTNR1BSIGMAR1HTR1ASLC6A4MTNR1A
Hydrochloric Acid SCHEMBL5871972 0.93 MTNR1B (0.54) MTNR1BSIGMAR1HTR1ASLC6A4MTNR1A
SCHEMBL5871898 0.84 MTNR1B (0.53) MTNR1BHTR1ASLC6A4MTNR1A
SCHEMBL5871583 0.80 MTNR1B (0.61) MTNR1BHTR1AMTNR1A
SCHEMBL5871290 0.79 MTNR1B (0.66) MTNR1BMTNR1A
Hydrochloric Acid SCHEMBL5871171 0.79 MTNR1B (0.60) MTNR1BHTR1AMTNR1A
SCHEMBL6001623 0.79 MTNR1B (0.70) MTNR1BSIGMAR1MTNR1A
SCHEMBL9775001 0.76 MTNR1B (0.51) MTNR1BSIGMAR1MTNR1AADRA1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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 MTNR1B 9/4885SIGMAR1 1200/4885HTR1A 17/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 MTNR1B 15/4885SIGMAR1 523/4885HTR1A 14/4885

“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.