SCHEMBL15345308

SCHEMBL15345308

CCCOc1ccc2cccc(CN)c2c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.58
MTNR1B P49286 8/20 0.50
HTR1A P08908 1/20 0.47
HTR1B P28222 1/20 0.47

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
SCHEMBL15345787 0.88 MTNR1A (0.46) MTNR1AMTNR1BHTR1AHTR1B
SCHEMBL15345475 0.88 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL8021685 0.86 MTNR1A (0.60) MTNR1AMTNR1BHTR1AHTR1B
SCHEMBL27876475 0.82 MTNR1A (0.66) MTNR1AMTNR1B
SCHEMBL27458780 0.82 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL8031436 0.81 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL12550704 0.81 HTR2A (0.63) MTNR1AMTNR1B
SCHEMBL8571135 0.80 MTNR1A (0.66) MTNR1AMTNR1B
SCHEMBL19583361 0.80 CA12 (0.54) MTNR1AHTR1AHTR1B
SCHEMBL15772531 0.80 MTNR1A (0.52) MTNR1AHTR1AHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 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 (1 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-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 MTNR1A 865/4885MTNR1B 1020/4885HTR1A 173/4885

“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.