SCHEMBL4563502

SCHEMBL4563502

COc1cccc2c1[C@H]1Nc3ccc(OC(F)(F)F)cc3C(C)(C)[C@H]1CO2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.41
HCRTR2 O43614 15/20 0.41
TACR1 P25103 2/20 0.36
KIF11 P52732 1/20 0.36
CYP3A4 P08684 2/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL4566271 0.87 NR3C1 (0.40) TACR1KIF11
SCHEMBL4855306 0.86 NR3C1 (0.35)
SCHEMBL4610332 0.86 TSHR (0.34) HCRTR1HCRTR2CYP3A4
SCHEMBL4629687 0.85 TACR1 (0.38) HCRTR1HCRTR2TACR1KIF11CTSD
SCHEMBL4564297 0.85 PGR (0.35) CTSDBACE1
SCHEMBL4609979 0.83 KIF11 (0.33) KIF11
SCHEMBL4895073 0.83 NR3C1 (0.35)
SCHEMBL4859401 0.83 PGR (0.35) HCRTR1HCRTR2KIF11
SCHEMBL4564249 0.83 NR3C1 (0.31)
SCHEMBL4866562 0.83 HSP90AA1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US claimed
EP-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 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 (3 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP HCRTR1 3527/4885HCRTR2 3099/4885TACR1 1844/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP HCRTR1 3527/4885HCRTR2 3099/4885TACR1 1844/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP HCRTR1 3527/4885HCRTR2 3099/4885TACR1 1844/4885

“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.