SCHEMBL287601

SCHEMBL287601

CC(C)(C)N(Cc1cc(C(F)(F)F)nn1N)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ KLKB1 P03952 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ CARM1 Q86X55 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ALPL P05186 1/20 0.30
▸ ALPI P09923 1/20 0.30

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
SCHEMBL287302 0.73 AKR1C3 (0.41) MAPT
SCHEMBL3628802 0.72 POLB (0.42) POLBTSHRLMNAL3MBTL1TP53
SCHEMBL3786349 0.71 KDM4E (0.41) KDM4EALDH1A1KLKB1POLBTSHR
SCHEMBL12961234 0.69 CACNA1H (0.42) KDM4EKLKB1POLBTSHRLMNA
SCHEMBL546112 0.65 TACR1 (0.41) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL17044850 0.65 POLQ (0.36) KDM4EMEN1KMT2ALMNAL3MBTL1
SCHEMBL13721614 0.64 ALOX15 (0.42) ALDH1A1POLBTSHRMEN1KMT2A
SCHEMBL17653923 0.64 PKM (0.43) KDM4EALDH1A1POLBTSHRLMNA
SCHEMBL1726029 0.64 MEN1 (0.40) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL545297 0.64 NR1H2 (0.46) POLBTSHRMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 — — US disclosed
EP-2427435-A1 SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-03-14 — — EP disclosed
EP-2427436-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-03-14 — — EP disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 — — 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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 KDM4E 1680/4885ALDH1A1 2165/4885KLKB1 4203/4885

“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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