SCHEMBL12869002

SCHEMBL12869002

CC(C)c1ccc(F)c(Cl)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 6/20 0.48
▸ GABRB1 P18505 4/20 0.48
▸ GABRB2 P47870 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HTR2C P28335 3/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ FAAH O00519 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GABRG2 P18507 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ GABRB3 P28472 1/20 0.46
▸ GABRA5 P31644 1/20 0.46
▸ GABRA3 P34903 1/20 0.46
▸ GABRA2 P47869 1/20 0.46

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
SCHEMBL22154769 0.82 GABRA1 (0.39) GABRA1GABRB1GABRB2LMNAHTR2C
SCHEMBL12599943 0.78 GABRA1 (0.37) GABRA1GABRB1GABRB2LMNAHTR2C
SCHEMBL2737293 0.78 GABRA1 (0.50) GABRA1GABRB1GABRB2LMNAHTR2C
SCHEMBL159123 0.77 GABRA1 (0.48) GABRA1GABRB1GABRB2LMNAHTR2C
SCHEMBL10290145 0.77 GABRA1 (0.48) GABRA1GABRB1GABRB2LMNAHTR2C
SCHEMBL27956122 0.77 GABRA1 (0.48) GABRA1GABRB1GABRB2LMNAHTR2C
SCHEMBL66253 0.74 ERN1 (0.39) LMNAHTR2CHTR2BCYP3A4HPGD
SCHEMBL14951743 0.74 GABRA1 (0.44) GABRA1GABRB1GABRB2LMNAHTR2C
SCHEMBL21191253 0.74 GABRA1 (0.37) GABRA1GABRB1LMNAHTR2CSLC6A2
SCHEMBL29699645 0.74 GABRA1 (0.68) GABRA1GABRB1GABRB2LMNAHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — 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 (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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRA1 4260/4885GABRB1 3834/4885GABRB2 4164/4885

“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.

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