SCHEMBL12868797

SCHEMBL12868797

CC(C)[C@@H]1CCCC[C@H]1CO

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
TRPA1 O75762 2/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
GBA1 P04062 2/20 0.32
SHBG P04278 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
SCHEMBL13295358 1.00 PABPC1 (0.38) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL4661823 1.00 PABPC1 (0.38) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL14639637 1.00 PABPC1 (0.38) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL12868804 1.00 PABPC1 (0.38) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL13142017 1.00 PABPC1 (0.38) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL13295353 1.00 PABPC1 (0.38) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL9918285 0.95 TRPA1 (0.35) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL12418390 0.95 TRPA1 (0.35) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL12418395 0.95 TRPA1 (0.35) PABPC1APOBEC3AAPOBEC3GTDP1CA1
SCHEMBL12418391 0.95 TRPA1 (0.35) PABPC1APOBEC3AAPOBEC3GTDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835470-B2 Mandelamide heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20130045964-A1 MANDELAMIDE HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-02-21 US disclosed
US-20130045964-A1 MANDELAMIDE HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-02-21 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
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US 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-7732424-B2 for reducing animal core temperatures and rate of oxygen consumption; protecting against myocardial damage during cardioplegia; cardiovascular disease, neurological disorders, ophthalmic conditions, ischemic conditions, reperfusion injury, obesity, wasting disease, and/or diabetes INOTEK PHARMACEUTICALS CORPORATION (US) 2010-06-08 US disclosed
US-7732424-B2 for reducing animal core temperatures and rate of oxygen consumption; protecting against myocardial damage during cardioplegia; cardiovascular disease, neurological disorders, ophthalmic conditions, ischemic conditions, reperfusion injury, obesity, wasting disease, and/or diabetes INOTEK PHARMACEUTICALS CORPORATION (US) 2010-06-08 US disclosed
US-20070238694-A1 Purine compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-11 US disclosed
US-20070238694-A1 Purine compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-11 US disclosed
US-20070191301-A1 Purine derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-08-16 US disclosed
US-20070191301-A1 Purine derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-08-16 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-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 (7 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PABPC1 725/4885APOBEC3A 2043/4885APOBEC3G 2324/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PABPC1 725/4885APOBEC3A 2043/4885APOBEC3G 2324/4885
US-20070238694-A1 Purine compounds and methods of use thereof PNP, ADORA2A, P2RY1 PABPC1 356/4885APOBEC3A 584/4885APOBEC3G 498/4885
US-20070191301-A1 Purine derivatives and methods of use thereof P2RY1, PNP, ADORA2A PABPC1 487/4885APOBEC3A 451/4885APOBEC3G 330/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PABPC1 725/4885APOBEC3A 2043/4885APOBEC3G 2324/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PABPC1 725/4885APOBEC3A 2043/4885APOBEC3G 2324/4885
US-20130045964-A1 MANDELAMIDE HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 PABPC1 2835/4885APOBEC3A 4299/4885APOBEC3G 4603/4885

“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.