SCHEMBL4308768

SCHEMBL4308768

CCCCN(CC(C)C)C(=O)Cn1c(=O)c(C(C)C)cc2ccc(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
THRB P10828 1/20 0.41
OXER1 Q8TDS5 1/20 0.40
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSPO P30536 1/20 0.36
CNR2 P34972 1/20 0.35
SRC P12931 2/20 0.35
BTK Q06187 2/20 0.35
LYN P07948 1/20 0.35

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
SCHEMBL4309637 0.94 MAPT (0.43) MAPTTHRBOXER1LMNAMTNR1A
SCHEMBL4315111 0.94 MAPT (0.44) MAPTTHRBOXER1KDM4ENPC1
SCHEMBL4313061 0.93 MAPT (0.41) MAPTTHRBOXER1KDM4ENPC1
SCHEMBL4307953 0.92 MAPT (0.43) MAPTTHRBOXER1MTNR1AMTNR1B
SCHEMBL4310849 0.90 OXER1 (0.43) MAPTTHRBOXER1MTNR1AMTNR1B
SCHEMBL4309615 0.88 MAPT (0.42) MAPTTHRBMTNR1AMTNR1B
SCHEMBL4320903 0.88 OXER1 (0.39) MAPTTHRBOXER1KDM4ENPC1
SCHEMBL4317686 0.87 MAPT (0.42) MAPTTHRBLMNAMTNR1AMTNR1B
SCHEMBL4309221 0.86 OXER1 (0.37) MAPTTHRBOXER1CNR2
SCHEMBL4314872 0.85 CNR2 (0.37) MAPTTHRBOXER1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US claimed
EP-2004193-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2008-12-24 EP claimed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 WO claimed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 MAPT 498/4885THRB 2231/4885OXER1 1049/4885

“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.