SCHEMBL3365353

SCHEMBL3365353

C=CCNCC=C.Cn1ccc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.43
CCND1 P24385 4/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
CYP2A6 P11509 2/20 0.40
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
SLC6A2 P23975 1/20 0.38
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PRKCI P41743 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
NOTUM Q6P988 1/20 0.35
NQO2 P16083 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
SCHEMBL3393616 0.81 CDK4 (0.49) CDK4CCND1HTR2AHTR2CMAPK1
SCHEMBL29384135 0.80 CDK4 (0.56) CDK4CCND1HTR2AHTR2CCYP2A6
SCHEMBL29812 0.80 CDK4 (0.56) CDK4CCND1HTR2AHTR2CCYP2A6
Formaldehyde SCHEMBL27911684 0.78 CDK4 (0.50) CDK4CCND1HTR2AHTR2CCYP2A6
Dimethylamine SCHEMBL3332471 0.78 CDK4 (0.50) CDK4CCND1HTR2AHTR2CCYP2A6
Bromide SCHEMBL31591097 0.78 CDK4 (0.54) CDK4CCND1HTR2AHTR2CCYP2A6
Bromide SCHEMBL6480413 0.78 CDK4 (0.54) CDK4CCND1HTR2AHTR2CCYP2A6
Hydrochloric Acid SCHEMBL1356443 0.78 CDK4 (0.54) CDK4CCND1HTR2AHTR2CCYP2A6
Hydrochloric Acid SCHEMBL30610362 0.78 CDK4 (0.54) CDK4CCND1HTR2AHTR2CCYP2A6
Formic Acid SCHEMBL28280220 0.77 CYP2A6 (0.50) CDK4CCND1HTR2AHTR2CCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121601-B1 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2016-06-15 EP disclosed
US-8343964-B2 Indolic derivatives, their preparation processes and their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2013-01-01 US disclosed
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2010-06-10 US disclosed
EP-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
US-6846820-B2 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PFIZER INC. (US) 2005-01-25 US disclosed
EP-1032424-B9 COMBINATION OF AN ALDOSE REDUCTASE INHIBITOR AND A GLYCOGEN PHOSPHORYLASE INHIBITOR PFIZER PROD INC (US) 2004-10-06 EP disclosed
US-20040006088-A1 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PFIZER INC. 2004-01-08 US disclosed
US-6649634-B2 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PFIZER, INC. 2003-11-18 US disclosed
US-20020028810-A1 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals HOOVER DENNIS J (US) 2002-03-07 US disclosed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP disclosed
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US disclosed
EP-1032424-A1 COMBINATION OF AN ALDOSE REDUCTASE INHIBITOR AND A GLYCOGEN PHOSPHORYLASE INHIBITOR Pfizer Products Inc. (US) 2000-09-06 EP disclosed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US disclosed
US-5952322-A AMIDE-SUBSTITUTED BENZIMIDAZOLE, INDOLE DERIVATIVES PFIZER INC. (US) 1999-09-14 US disclosed
WO-1999026659-A1 COMBINATION OF AN ALDOSE REDUCTASE INHIBITOR AND A GLYCOGEN PHOSPHORYLASE INHIBITOR PFIZER PRODUCTS INC. (US) 1999-06-03 WO disclosed
EP-0846464-A2 Use of glycogen phosphorylase inhibitor for reducing non-cardiac tissue damage resulting from ischemia PFIZER INC. (US) 1998-06-10 EP disclosed
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
EP-0832066-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed
WO-1996039385-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1996-12-12 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 (3 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-20020028810-A1 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PYGL, GPR119, PYGM CDK4 1468/4885CCND1 2163/4885HTR2A 512/4885
US-20040006088-A1 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PYGL, GPR119, PYGM CDK4 1320/4885CCND1 2150/4885HTR2A 477/4885
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS GPBAR1, TPH1, GPER1 CDK4 2529/4885CCND1 1259/4885HTR2A 1006/4885

“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.