Sugi Predict

Sugi Predict / Compounds / SCHEMBL719480

SCHEMBL719480

SCHEMBL719480

O=C1CCCCC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.42
▸ PDE2A O00408 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TLR4 O00206 1/20 0.39
▸ TNKS O95271 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38

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
Hydrochloric Acid SCHEMBL30656513 0.98 HTR2C (0.44) HTR2CPDE2ACYP1A2TLR4TNKS
SCHEMBL27219395 0.95 HTR2C (0.43) HTR2CPDE2ACYP1A2DDB1CRBN
SCHEMBL195233 0.92 HTR2C (0.37) HTR2CPDE2ACYP1A2TLR4TNKS
SCHEMBL1616556 0.83 AR (0.40) TLR4DDB1CRBN
SCHEMBL6519821 0.83 SLC6A2 (0.42) TLR4TNKSTNKS2DDB1CRBN
SCHEMBL5613574 0.81 SLC6A2 (0.44) TLR4DDB1CRBN
SCHEMBL1138354 0.81 HTR2C (0.48) HTR2C
SCHEMBL513149 0.80 LMNA (0.42) TLR4
SCHEMBL26220377 0.80 LMNA (0.42) TLR4
SCHEMBL1138702 0.79 EPHX2 (0.42) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108591-B Method for preparing carboxylic acid by catalyzing ring opening of cyclic ketone compound through oxidation by using N-heterocyclic carbene 兰州大学 2024-07-09 — — CN disclosed
CN-118108591-A Method for preparing carboxylic acid by catalyzing ring opening of cyclic ketone compound through oxidation by using N-heterocyclic carbene 兰州大学 2024-05-31 — — CN disclosed
US-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2024-05-16 — — US disclosed
CN-117945872-A Method for synthesizing disubstituted dienone compound by catalysis of binuclear titanium complex 陕西师范大学 2024-04-30 — — CN disclosed
WO-2023165575-A1 NEW AMINOKETONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海致根医药科技有限公司 2023-09-07 — — WO disclosed
CN-113234036-B NMDA receptor antagonists and uses thereof 斯莱普泰(上海)生物医药科技有限公司 2023-07-14 — — CN disclosed
WO-2022237849-A1 NMDA RECEPTOR ANTAGONIST AND USE THEREOF 中国科学院上海有机化学研究所 2022-11-17 — — WO disclosed
WO-2022235875-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SαAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-11-10 — — WO disclosed
CN-113234036-A NMDA receptor antagonists and uses thereof 中国科学院上海有机化学研究所 2021-08-10 — — CN disclosed
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JIANHE PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2021-06-10 — — US disclosed
EP-1720873-B1 DIAZA-SPIROPIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-23 — — EP disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 — — WO disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 — — US disclosed
EP-1399433-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-08-22 — — EP disclosed
US-7183290-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-02-27 — — US disclosed
US-7173133-B2 Diaza-spiropiperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-02-06 — — US disclosed
EP-1720873-A1 DIAZA-SPIROPIPERIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-11-15 — — EP disclosed
WO-2005068463-A1 DIAZA-SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-07-28 — — WO disclosed
US-20050154001-A1 Diaza-spiropiperidine derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 — — US disclosed
US-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity SMITHKLINE BEECHAM CORPORATION 2004-12-02 — — 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 (5 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-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP HTR2C 2791/4885PDE2A 2291/4885CYP1A2 1655/4885
US-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME AHR, CBR3, AADAC HTR2C 654/4885PDE2A 2793/4885CYP1A2 137/4885
US-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity DPP4, DPP7, DPP3 HTR2C 3252/4885PDE2A 1120/4885CYP1A2 1216/4885
US-20050154001-A1 Diaza-spiropiperidine derivatives HCN3, SCN3A, SLC6A3 HTR2C 144/4885PDE2A 606/4885CYP1A2 449/4885
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT HTR2C 1307/4885PDE2A 4338/4885CYP1A2 620/4885

“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.