SCHEMBL8088838

SCHEMBL8088838

CCCC(=O)NCC1CC1c1cccc(OCC2CC2c2cccc(OC)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.55
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
SCN3A Q9NY46 1/20 0.47
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45

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
SCHEMBL8088837 1.00 FFAR1 (0.55) FFAR1HTR2AHTR2CHTR2BSCN3A
SCHEMBL8088925 0.94 HTR2A (0.55) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL8089150 0.94 HTR2A (0.55) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL18912573 0.89 FFAR1 (0.45) FFAR1HTR2AHTR2CHTR2BMTNR1A
SCHEMBL8102619 0.88 MTNR1A (0.48) FFAR1HTR2AHTR2CHTR2BSCN3A
SCHEMBL8088924 0.86 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL8088922 0.86 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL8088455 0.84 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL8088456 0.84 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL8095719 0.84 HTR2A (0.58) FFAR1HTR2AHTR2CHTR2BMTNR1A

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
US-9994518-B2 Alpha-7 nicotinic acetylcholine receptor modulators and uses thereof MERCK SHARP & DOHME CORP. (US) 2018-06-12 US disclosed
US-20170152221-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2017-06-01 US disclosed
EP-0747346-B1 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2000-02-16 EP disclosed
EP-0747346-A2 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 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-20170152221-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF CHRNA7, CHRNA10, CHRNA5 FFAR1 556/4885HTR2A 333/4885HTR2C 455/4885

“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.