SCHEMBL1969378

SCHEMBL1969378

COc1[c]cc(OC)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
TAAR1 Q96RJ0 1/20 0.34
MAPT P10636 4/20 0.33
CYP3A4 P08684 2/20 0.33
CA9 Q16790 1/20 0.33
NQO2 P16083 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
G6PD P11413 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
PTGS2 P35354 1/20 0.31
CYP19A1 P11511 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 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
SCHEMBL1637863 0.82 ACHE (0.39) ACHETAAR1MAPTCYP3A4CA9
SCHEMBL592705 0.81 CYP3A4 (0.39) ACHEMAPTCYP3A4CA9NQO2
SCHEMBL1637707 0.81 ACHE (0.32) ACHE
SCHEMBL220314 0.79 ACHE (0.36) ACHETAAR1MAPTCYP3A4NQO2
SCHEMBL5566940 0.76 KMT2A (0.33) MAPTLMNA
SCHEMBL221777 0.76 CA2 (0.35) MAPTNQO2NPC1POLBRAB9A
SCHEMBL28380173 0.76 CYP3A4 (0.37) CYP3A4POLBTUBB1
SCHEMBL219318 0.76 GAA (0.42) ACHETAAR1MAPTNPC1POLB
SCHEMBL21722871 0.76 CYP3A4 (0.37) ACHETAAR1MAPTCYP3A4CA9
SCHEMBL21980882 0.76 ACHE (0.33) ACHETAAR1MAPTCYP3A4NQO2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513064-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-10-24 EP claimed
WO-2011080132-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-07-07 WO claimed
EP-1632470-A2 Calcium receptor active molecules NPS PHARMACEUTICALS, INC. (US) 2006-03-08 EP claimed
CN-1276790-A Carboxamidothiazole derivs., preparation, pharmaceutical composition contg. them SANOFI SA (FR) 2000-12-13 CN claimed
EP-1017693-A1 CARBOXAMIDOTHIAZOLE DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2000-07-12 EP claimed
WO-1999015525-A1 CARBOXAMIDOTHIAZOLE DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 1999-04-01 WO claimed
US-5795905-A 3-AMINO-5-PHENYL-1,2,4-TRIAZOLES NEUROCRINE BIOSCIENCES, INC. (US) 1998-08-18 US claimed
EP-0846108-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1998-06-10 EP claimed
US-5656648-A TREATMENT OF PATHOLOGIES NECESSITATING STIMULATION OF CHOLECYSTOKININ-A RECEPTORS BY TOTAL OR PARTIAL AGONIST EFFECT SANOFI (FR) 1997-08-12 US claimed
WO-1996039400-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1996-12-12 WO claimed
EP-0611766-A1 Polysubstituted 2-amido thiazoles derivatives, process for their preparation, pharmaceutical compositions and utilization for the preparation of a medicament SANOFI (FR) 1994-08-24 EP claimed
US-4619943-A NEUROLEPTIC AGENTS RAO KOPPAKA V 1986-10-28 US claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed
EP-0611766-A1 Polysubstituted 2-amido thiazoles derivatives, process for their preparation, pharmaceutical compositions and utilization for the preparation of a medicament SANOFI (FR) 1994-08-24 EP disclosed
EP-0611766-A1 Polysubstituted 2-amido thiazoles derivatives, process for their preparation, pharmaceutical compositions and utilization for the preparation of a medicament SANOFI (FR) 1994-08-24 EP disclosed
US-5176739-A Plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-01-05 US disclosed
US-4289495-A HAIR DYES, STORAGE STABILITY L'OREAL (FR) 1981-09-15 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 ACHE 1608/4885TAAR1 48/4885MAPT 1419/4885

“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.