SCHEMBL5871250

SCHEMBL5871250

COc1ccc2c(c1)C(N1CCNCC1)CCC2

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.64
SIGMAR1 Q99720 1/20 0.60
MTNR1A P48039 5/20 0.54
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
PDE7A Q13946 1/20 0.46
PDE7B Q9NP56 1/20 0.46

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
SCHEMBL30616750 0.92 MTNR1B (0.65) MTNR1BSIGMAR1MTNR1AHTR2AHTR2C
SCHEMBL5871391 0.92 MTNR1B (0.65) MTNR1BSIGMAR1MTNR1AHTR2AHTR2C
SCHEMBL7677474 0.90 MTNR1B (0.57) MTNR1BSIGMAR1MTNR1AHTR2AHTR2C
SCHEMBL8653681 0.90 MTNR1B (0.60) MTNR1BSIGMAR1MTNR1AHTR2AHTR2C
SCHEMBL6001623 0.86 MTNR1B (0.70) MTNR1BSIGMAR1MTNR1A
SCHEMBL5871858 0.80 MTNR1B (0.86) MTNR1BSIGMAR1MTNR1A
SCHEMBL8649814 0.78 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL8649531 0.78 MTNR1B (0.52) MTNR1BSIGMAR1MTNR1AHTR2AHTR2C
SCHEMBL8655497 0.77 MTNR1B (0.79) MTNR1BMTNR1A
SCHEMBL8653594 0.77 MTNR1B (1.00) MTNR1BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4963680-A INTERMEDIATES FOR THERAPEUTIC DRUGS SYNTHELABO (FR) 1990-10-16 US 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
US-5780470-A TREATING SLEEP DISORDERS AND DEPRESSION BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US disclosed
EP-0745597-A2 Novel melatonergic indanyl piperazines or homopiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-04 EP disclosed
US-5010079-A Treatment of psychological disorders SYNTHELABO (FR) 1991-04-23 US disclosed
US-4963680-A INTERMEDIATES FOR THERAPEUTIC DRUGS SYNTHELABO (FR) 1990-10-16 US 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.