SCHEMBL5871685

SCHEMBL5871685

CCN1CCN([C@@H]2c3cc(OC)ccc3CC[C@H]2Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 13/20 0.43
SIGMAR1 Q99720 4/20 0.43
MTNR1A P48039 8/20 0.41
CACNA1G O43497 1/20 0.40
KCNH2 Q12809 1/20 0.40
NQO2 P16083 3/20 0.39

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
SCHEMBL5871683 1.00 MTNR1B (0.43) MTNR1BSIGMAR1MTNR1ACACNA1GKCNH2
SCHEMBL5871690 1.00 MTNR1B (0.43) MTNR1BSIGMAR1MTNR1ACACNA1GKCNH2
SCHEMBL5871602 0.77 MTNR1B (0.53) MTNR1BSIGMAR1MTNR1A
SCHEMBL5871595 0.77 MTNR1B (0.53) MTNR1BSIGMAR1MTNR1A
SCHEMBL5871590 0.77 MTNR1B (0.53) MTNR1BSIGMAR1MTNR1A
Hydrochloric Acid SCHEMBL5871496 0.77 MTNR1B (0.67) MTNR1BSIGMAR1MTNR1A
SCHEMBL5871980 0.76 MTNR1B (0.69) MTNR1BSIGMAR1MTNR1A
Hydrochloric Acid SCHEMBL9797418 0.68 KMT2A (0.48) MTNR1B
SCHEMBL9797246 0.67 KMT2A (0.49) MTNR1B
SCHEMBL10955630 0.65 SLC6A4 (0.52) SIGMAR1

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 1200/4885MTNR1A 6/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 MTNR1B 15/4885SIGMAR1 523/4885MTNR1A 12/4885

“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.