SCHEMBL8088819

SCHEMBL8088819

COc1cccc(C2CC2CO)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.72
HTR2A P28223 2/20 0.72
HTR2B P41595 2/20 0.72
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
CHRM3 P20309 1/20 0.59
SLC5A1 P13866 1/20 0.54
SLC5A2 P31639 1/20 0.54
SLC9A1 P19634 1/20 0.50
FFAR1 O14842 4/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
KDM1A O60341 3/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
RCOR1 Q9UKL0 1/20 0.44

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
SCHEMBL8088821 1.00 HTR2C (0.72) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL8333213 0.88 HTR2C (0.68) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL23995531 0.85 HTR2C (0.74) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL20205056 0.85 HTR2C (0.74) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL22334915 0.85 HTR2C (0.74) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL15255094 0.84 HTR2C (1.00) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL8097675 0.84 HTR2C (1.00) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL8097678 0.84 HTR2C (1.00) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL8332428 0.84 HTR2C (0.72) HTR2CHTR2AHTR2BCHRM2CHRM1
SCHEMBL6319621 0.82 HTR2A (0.65) HTR2CHTR2AHTR2BCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102198-B1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-08-26 EP disclosed
US-10059667-B2 Antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2018-08-28 US disclosed
EP-3102198-A1 ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2016-12-14 EP disclosed
US-20160332968-A1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-11-17 US disclosed
US-20160332968-A1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-11-17 US disclosed
US-20160332968-A1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-11-17 US disclosed
WO-2015119899-A1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-08-13 WO disclosed
WO-2015119899-A1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-08-13 WO disclosed
EP-0747346-B1 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2000-02-16 EP disclosed
US-5889031-A CONTROLLING CIRCADIAN RHYTHMS BRISTOL-MYERS SQUIBB COMPNAY (US) 1999-03-30 US disclosed
US-5753709-A N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-19 US 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 (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-20160332968-A1 ANTIDIABETIC COMPOUNDS GPR119, GLP1R, GIPR HTR2C 986/4885HTR2A 485/4885HTR2B 901/4885
US-10059667-B2 Antidiabetic compounds GPR119, GLP1R, GIPR HTR2C 986/4885HTR2A 485/4885HTR2B 901/4885

“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.