Sugi Predict

Sugi Predict / Compounds / SCHEMBL1620786

SCHEMBL1620786

SCHEMBL1620786

C[C](C)Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ TRPA1 O75762 2/20 0.47
▸ IDO1 P14902 1/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ CTBP2 P56545 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TAAR1 Q96RJ0 3/20 0.43
▸ MAPT P10636 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ HIF1A Q16665 1/20 0.42

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
SCHEMBL48545 0.80 GAA (0.53) TDP1POLBAPEX1GAACTBP2
SCHEMBL27553305 0.80 LOXL2 (0.48) TDP1POLBAPEX1GAATRPA1
SCHEMBL5540928 0.80 TDP1 (0.44) TDP1POLBAPEX1GAATRPA1
SCHEMBL8271141 0.80 TDP1 (0.48) TDP1POLBAPEX1GAATRPA1
SCHEMBL15066420 0.78 TRPA1 (0.52) TDP1POLBAPEX1GAATRPA1
SCHEMBL3656534 0.77 CTBP2 (0.53) TDP1POLBAPEX1GAATRPA1
SCHEMBL4226247 0.76 IDO1 (0.48) TDP1GAAIDO1CTBP2SMN1; SMN2
SCHEMBL6522029 0.76 CA2 (0.54) LMNAKMT2AKDM4EALDH1A1TAAR1
SCHEMBL6616424 0.76 LPL (0.48) TDP1TRPA1IDO1SMN1; SMN2ALDH1A1
SCHEMBL9253136 0.75 TAAR1 (0.50) TRPA1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928134-B2 5-aryl-4,5-dihydro-(1H)-pyrazolines as cannabinoid CB1 receptor agonists SOLVAY PHARMACEUTICALS B.V. (NL) 2011-04-19 — — US claimed
CN-101801934-A 5-aryl-4, 5-dihydro- (1H) -pyrazoles as cannabis sativaPlain CB1Receptor agonists SOLVAY PHARM BV 2010-08-11 — — CN claimed
EP-2203427-A2 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLES AS CANNABINOID CB1 RECEPTOR AGONISTS Abbott Healthcare Products B.V. (NL) 2010-07-07 — — EP claimed
WO-2009037244-A2 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS B.V. (NL) 2009-03-26 — — WO claimed
US-20090082396-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS B.V. 2009-03-26 — — US claimed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 — — US claimed
EP-1844002-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-10-17 — — EP claimed
EP-1832586-A1 Thiazole-piperidine derivatives in treatment of diseases of liver and the pancreas Oridis Biomed Forschungs- und Entwicklungs GmbH (AT) 2007-09-12 — — EP claimed
WO-2006083924-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-08-10 — — WO claimed
US-7053104-B2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2006-05-30 — — US claimed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 — — US claimed
US-6479492-B1 TREATMENT OF INFLAMMATORY DISEASES IN A MAMMALIAN PATIENT ELAN PHARMACEUTICALS, INC. 2002-11-12 — — US claimed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 — — US claimed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 — — EP disclosed
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 — — US disclosed
CN-1549717-B Cysteine protease inhibitors having 2-cyano-4-aminopyrimidine structure and cathepsin K inhibitory activity and pharmaceutical use thereof NOVARTIS AG 2011-08-17 — — CN disclosed
EP-0362264-A1 NEW ARALKYL ESTERS AND PROCESSES FOR THEIR PREPARATION AKTIEBOLAGET ASTRA (SE) 1990-04-11 — — EP disclosed
WO-1988009327-A1 NEW ARALKYL ESTERS AND PROCESSES FOR THEIR PREPARATION AKTIEBOLAGET ASTRA (SE) 1988-12-01 — — WO disclosed
EP-0293351-A2 New aralkyl esters and processes for their preparation AKTIEBOLAGET ASTRA (SE) 1988-11-30 — — EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 — — 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 (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-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 TDP1 2758/4885POLB 4133/4885APEX1 4555/4885
US-20090082396-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS CNR1, CNR2, HTR5A TDP1 4361/4885POLB 4690/4885APEX1 3839/4885
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors REN, AGTR1, AGTR2 TDP1 3837/4885POLB 1990/4885APEX1 2758/4885

“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.