SCHEMBL80956

SCHEMBL80956

OC/C=C/c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.56
FBP1 P09467 1/20 0.53
P4HB P07237 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOB P27338 5/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
HTT P42858 1/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL80957 1.00 NFE2L2 (0.56) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL9516761 0.86 NFE2L2 (0.53) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL28853269 0.84 PNMT (0.51) NFE2L2FBP1
SCHEMBL19399833 0.83 NFE2L2 (0.50) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL1506009 0.82 NFE2L2 (0.56) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL2095432 0.82 FBP1 (0.57) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL7286051 0.82 NFE2L2 (0.56) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL2095430 0.82 FBP1 (0.57) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL7286044 0.82 NFE2L2 (0.56) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL14416283 0.82 NFE2L2 (0.60) NFE2L2FBP1P4HBMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010128388-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF CINACALCET AUROBINDO PHARMA LIMITED (IN) 2010-11-11 WO claimed
EP-1881954-B1 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE TEVA PHARMA (IL) 2009-09-16 EP claimed
EP-1881954-A2 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-30 EP claimed
US-7250533-B2 Process for preparing Cinacalcet hydrochloride TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2007-07-31 US claimed
US-20070043243-A1 Process for preparing Cinacalcet hydrochloride TEVA PHARMACEUTICALS USA, INC. 2007-02-22 US claimed
WO-2006125026-A2 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2006-11-23 WO claimed
WO-2024052690-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 WO disclosed
CN-114957086-B Synthesis method and application of N-trifluoromethyl sulfonyl phthalimide 杭州师范大学 2023-06-02 CN disclosed
CN-115716776-A Method for synthesizing alcohol compound by catalyzing alpha, beta-unsaturated aldehyde 化学与精细化工广东省实验室 2023-02-28 CN disclosed
CN-114957086-A Synthesis method and application of N-trifluoromethylsulfonyl phthalimide 杭州师范大学 2022-08-30 CN disclosed
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-12 US disclosed
EP-3424926-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2019-01-09 EP disclosed
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-10-11 US disclosed
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US disclosed
US-5149717-A Alkanophenones useful for treating allergies CIBA-GEIGY CORPORATION (US) 1992-09-22 US disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed
EP-0228045-B1 AROMATIC THIOETHERS CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
EP-0351194-A2 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-17 EP disclosed
EP-0335315-A1 New alkanephenones CIBA-GEIGY AG (CH) 1989-10-04 EP disclosed
US-4785004-A ANTIALLERGENS, ANTIHISTAMINES CIBA-GEIGY CORPORATION (US) 1988-11-15 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-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 NFE2L2 3306/4885FBP1 542/4885P4HB 981/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 NFE2L2 3306/4885FBP1 542/4885P4HB 981/4885
US-20070043243-A1 Process for preparing Cinacalcet hydrochloride SI, PRCP, CA9 NFE2L2 4160/4885FBP1 2546/4885P4HB 2709/4885

“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.