SCHEMBL2173279

SCHEMBL2173279

O=C(O)C(CC1CC1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.43
CTSL P07711 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CACNA1B Q00975 2/20 0.40
CPB2 Q96IY4 1/20 0.40
CPA1 P15085 1/20 0.40
FFAR2 O15552 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL11879793 0.84 CYP2C19 (0.50) CPB2
SCHEMBL8496508 0.84 CYP2C19 (0.50) CPB2
SCHEMBL10380391 0.83 CPB2 (0.43) CPB2FFAR2
SCHEMBL28169767 0.80 CYP2C9 (0.40) CCR5CTSLHDAC3HDAC4HDAC1
SCHEMBL30975300 0.79 CPB2 (0.47) CPB2FFAR2
SCHEMBL1203258 0.78 APP (0.44)
SCHEMBL11849850 0.78 ALDH1A1 (0.44)
SCHEMBL8497719 0.78 NPY5R (0.46) PTGS1
SCHEMBL27663578 0.78 CHRM2 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1201186 0.78 APP (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346865-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2015-07-15 EP disclosed
US-8637671-B2 Indole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2014-01-28 US disclosed
EP-2346865-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2011-07-27 EP disclosed
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 US disclosed
WO-2010031183-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2010-03-25 WO 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-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR CCR5 539/4885CTSL 3771/4885HDAC3 2336/4885

“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.