SCHEMBL12329328

SCHEMBL12329328

Cc1ccc(F)c(OC(C)CC#N)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ACHE P22303 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPBWR1 P48145 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL13104291 0.83 PDE4A (0.35) ACHEALDH1A1SMN1; SMN2
SCHEMBL10206354 0.79 HTR1A (0.37) OPRM1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL13103809 0.79 ACHE (0.34) OPRM1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL21771301 0.76 L3MBTL4 (0.38) OPRM1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL20372886 0.76 L3MBTL4 (0.38) OPRM1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL879131 0.76 ACHE (0.40) OPRM1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL900869 0.72 ALDH1A1 (0.45) HTR1ASLC6A2SLC6A4SLC6A3ACHE
SCHEMBL879187 0.71 TSHR (0.41) SLC22A12ALDH1A1SMN1; SMN2
SCHEMBL26722633 0.70 DRD2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL28017809 0.69 THRB (0.39) ALDH1A1SMN1; SMN2

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
US-9102599-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-11 US disclosed
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-8404896-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (6 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-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 OPRM1 2130/4885OPRL1 1177/4885HTR1A 414/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 OPRM1 3113/4885OPRL1 1986/4885HTR1A 1552/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 OPRM1 3113/4885OPRL1 1986/4885HTR1A 1552/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 OPRM1 3113/4885OPRL1 1986/4885HTR1A 1552/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 OPRM1 3113/4885OPRL1 1986/4885HTR1A 1552/4885
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 OPRM1 2192/4885OPRL1 1402/4885HTR1A 480/4885

“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.