SCHEMBL5114027

SCHEMBL5114027

CCOC(Cc1ccc(OCCN2CCSc3ccccc32)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
THRB P10828 2/20 0.52
PPARG P37231 10/20 0.50
POLB P06746 1/20 0.49
PPARA Q07869 8/20 0.49
PPARD Q03181 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5107699 0.90 LMNA (0.54) MAPTLMNATP53THRBPPARG
N-Benzylmethylamine SCHEMBL7524220 0.89 PPARG (0.56) MAPTLMNATP53THRBPPARG
SCHEMBL7255050 0.89 PPARG (0.63) MAPTLMNATP53PPARGPPARA
SCHEMBL5081077 0.89 PPARG (0.63) MAPTLMNATP53PPARGPPARA
SCHEMBL14265747 0.89 PPARG (0.63) MAPTLMNATP53PPARGPPARA
SCHEMBL5100503 0.87 LMNA (0.54) MAPTLMNATP53PPARGPOLB
SCHEMBL5108315 0.86 LMNA (0.53) MAPTLMNATP53PPARGPPARA
SCHEMBL5101120 0.86 PPARG (0.53) MAPTLMNATP53PPARGPPARA
SCHEMBL27556337 0.84 MAPT (0.45) MAPTLMNATP53THRBPPARG
SCHEMBL7256206 0.84 LMNA (0.51) MAPTLMNATP53PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809095-B2 NOVEL ANTITOBESITY AND HYPOCHOLESTEROLEMIC COMPOUNDS LOWER TOTAL CHOLESTEROL; INCREASE HIGH DENSITY LIPOPROTEIN (HDL) AND DECREASE LOW DENSTIY LIPOPROTEIN DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-26 US claimed
JP-2002543194-A 2002-12-17 JP claimed
US-20020082258-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION & REDDY- CHEMINOR, INC. 2002-06-27 US claimed
EP-1175412-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Research Foundation (IN) 2002-01-30 EP claimed
US-20010051619-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION AND REDDY-CHEMINOR, INC. 2001-12-13 US claimed
US-6265401-B1 ANTIDIABETIC AGENTS REDDY-CHEMINOR, INC. 2001-07-24 US claimed
EP-1082313-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-03-14 EP claimed
WO-2000066572-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO claimed
WO-1999020614-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-29 WO claimed
US-7358242-B2 Tetraazabenzo[e]azulene derivatives and analogs thereof PFIZER INC. (US) 2008-04-15 US disclosed
US-7348426-B1 Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents DR. REDDY'S LABORATIES LIMITED (IN) 2008-03-25 US disclosed
US-20070265193-A1 TETRAAZABENZO[E]AZULENE DERIVATIVES AND ANALOGS THEREOF PFIZER INC 2007-11-15 US disclosed
US-7265104-B2 Tetraazabenzo[e]azulene derivatives and analogs thereof PFIZER INC. (US) 2007-09-04 US disclosed
US-20050267100-A1 Tetraazabenzo[e]azulene derivatives and analogs thereof PFIZER INC 2005-12-01 US disclosed
EP-1175412-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Research Foundation (IN) 2002-01-30 EP disclosed
US-20010051619-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION AND REDDY-CHEMINOR, INC. 2001-12-13 US disclosed
US-6265401-B1 ANTIDIABETIC AGENTS REDDY-CHEMINOR, INC. 2001-07-24 US disclosed
EP-1082313-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-03-14 EP disclosed
WO-2000066572-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO disclosed
WO-1999020614-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-29 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 (4 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-20010051619-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them CPT1A, GPR119, SLC5A1 MAPT 209/4885LMNA 664/4885TP53 3892/4885
US-20070265193-A1 TETRAAZABENZO[E]AZULENE DERIVATIVES AND ANALOGS THEREOF CCKAR, CCKBR, GLP1R MAPT 4647/4885LMNA 2559/4885TP53 3150/4885
US-20020082258-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them SLC5A1, CYP11B1, CYP4A11 MAPT 124/4885LMNA 513/4885TP53 2280/4885
US-20050267100-A1 Tetraazabenzo[e]azulene derivatives and analogs thereof CCKAR, CCKBR, GPR119 MAPT 4723/4885LMNA 2398/4885TP53 4352/4885

“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.