SCHEMBL5871583

SCHEMBL5871583

COc1ccc2c(c1)C(N1CCN(CC(=O)c3ccc(F)cc3)CC1)CCC2

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.61
MTNR1A P48039 5/20 0.53
HTR1A P08908 1/20 0.51
HTR2C P28335 1/20 0.51
DRD3 P35462 1/20 0.51
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL5871171 0.99 MTNR1B (0.60) MTNR1BMTNR1AHTR1AHTR2CDRD3
SCHEMBL5871286 0.94 MTNR1B (0.62) MTNR1BMTNR1AALDH1A1
SCHEMBL5872403 0.82 MTNR1B (0.56) MTNR1BMTNR1AHTR1A
SCHEMBL5871290 0.82 MTNR1B (0.66) MTNR1BMTNR1A
Hydrochloric Acid SCHEMBL5870972 0.81 MTNR1B (0.56) MTNR1BMTNR1AHTR1A
SCHEMBL5871708 0.80 MTNR1B (0.54) MTNR1BMTNR1AHTR1A
SCHEMBL5871858 0.78 MTNR1B (0.86) MTNR1BMTNR1A
SCHEMBL5871741 0.78 ALDH1A1 (0.47) HTR1AHTR2CDRD3ALDH1A1
SCHEMBL6001623 0.77 MTNR1B (0.70) MTNR1BMTNR1A
Hydrochloric Acid SCHEMBL5871841 0.77 ALDH1A1 (0.47) HTR1AHTR2CDRD3ALDH1A1

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 9/4885MTNR1A 6/4885HTR1A 17/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 MTNR1B 15/4885MTNR1A 12/4885HTR1A 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.