SCHEMBL146185

SCHEMBL146185

CC(C)NC(C)C.CCC(O)C(C)N

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
TRPA1 O75762 1/20 0.42
SPHK1 Q9NYA1 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.36
ADRB2 P07550 1/20 0.31
PTGS2 P35354 1/20 0.31
OPRK1 P41145 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL14160061 0.87
SCHEMBL3355860 0.87
SCHEMBL8045602 0.87
SCHEMBL731183 0.87
SCHEMBL27238088 0.87
SCHEMBL22703465 0.87
Hydrochloric Acid SCHEMBL9015304 0.84
Ammonia Solution, Strong SCHEMBL4925852 0.84
Butanol SCHEMBL27620184 0.75 TSHR (0.67) TDP1TSHRADRB2PTGS2OPRK1
SCHEMBL3170150 0.73

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-20120058057-A1 Anti-dandruff Agents MERCK PATENT GMBH (DE) 2012-03-08 US claimed
US-20120058057-A1 Anti-dandruff Agents MERCK PATENT GMBH (DE) 2012-03-08 US disclosed
WO-2010136105-A2 AMMONIUMCARBOXYLATES MERCK PATENT GMBH (DE) 2010-12-02 WO disclosed
WO-2010136104-A2 ANTI-DANDRUFF AGENTS MERCK PATENT GMBH (DE) 2010-12-02 WO disclosed
US-20100119461-A1 ANTIMICROBIAL COMPOSITION MERCK PATENT GMBH (DE) 2010-05-13 US disclosed
EP-2112882-A2 ANTIMICROBIAL COMPOSITION COMPRISING ZINC OXIDE, BARIUM SULPHATE AND SILVER IONS Merck Patent GmbH (DE) 2009-11-04 EP disclosed
WO-2008089822-A2 ANTIMICROBIAL COMPOSITION COMPRISING ZINC OXIDE, BARIUM SULPHATE AND SILVER IONS MERCK PATENT GMBH (DE) 2008-07-31 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 (2 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-20100119461-A1 ANTIMICROBIAL COMPOSITION ZFR, SOD1, NISCH TRPV1 701/4885TRPA1 72/4885SPHK1 4462/4885
US-20120058057-A1 Anti-dandruff Agents POLR1C, ETF1, PIK3C3 TRPV1 1735/4885TRPA1 1740/4885SPHK1 1534/4885

“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.