SCHEMBL95846

SCHEMBL95846

Cc1[c]ccc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.36
PDE2A O00408 4/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
NFE2L2 Q16236 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.33
PTPN5 P54829 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NOTUM Q6P988 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
PNMT P11086 1/20 0.32

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
SCHEMBL699200 0.83
SCHEMBL4419662 0.79 MEN1 (0.42) TSHRMAPK1
SCHEMBL143472 0.79 IKBKB (0.43) KIF11TSHRMAPK1ALDH1A1NOTUM
SCHEMBL2869063 0.79 TSHR (0.39) KIF11TSHRMAPTALDH1A1
SCHEMBL4580414 0.79 ESR1 (0.41) TSHRALDH1A1
SCHEMBL3220922 0.78
SCHEMBL147631 0.78 KIF11 (0.45) KIF11ALDH1A1
SCHEMBL4437593 0.77 NOTUM (0.43) KIF11PDE2AMAPTNOTUM
SCHEMBL2865616 0.76 ESR1 (0.43) TSHRALDH1A1
SCHEMBL3945118 0.76 ESR1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US claimed
EP-3750894-B1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2024-04-03 EP claimed
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. 2024-01-04 US claimed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US claimed
EP-4204400-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION Fibrogen, Inc. (US) 2023-07-05 EP claimed
CN-116348450-A Compounds, compositions and methods for histone lysine demethylase inhibition 菲布罗根有限公司 2023-06-27 CN claimed
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN claimed
CN-110023309-B Indazole derivatives as glucagon receptor antagonists 詹森药业有限公司 2022-08-09 CN claimed
CN-109923109-B Indazole derivatives as glucagon receptor antagonists 詹森药业有限公司 2022-06-17 CN claimed
CN-111757885-B Urea-substituted aromatic ring-connected dioxane quinoline compound and preparation method and application thereof 北京赛特明强医药科技有限公司 2021-01-29 CN claimed
EP-1695974-A1 1,8-Naphthyridines as CRF antagonists GLAXO GROUP LIMITED (GB) 2006-08-30 EP claimed
EP-1425280-B1 HETERO-BICYCLIC CRF ANTAGONISTS GLAXO GROUP LTD (GB) 2006-08-30 EP claimed
EP-1383498-B1 CRF RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2006-03-15 EP claimed
EP-1425281-B1 Tricyclic CRF receptor antagonists SB PHARMCO PUERTO RICO INC CSC (PR) 2006-02-01 EP claimed
EP-1611133-A1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC. CSC, The United States Corporation Company (PR) 2006-01-04 EP claimed
US-20050090546-A1 Aspartic protease inhibitors GOVERNMENT OF THE USA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-04-28 US claimed
WO-2004094420-A1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC (US) 2004-11-04 WO claimed
US-6613764-B1 Compounds such as N,N-dibenzylphenylalanine benzyl ester, used as enzyme inhibitors; prophylaxis of lymphadenopathy associated virus, cancer and malaria THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-09-02 US claimed
EP-1140846-A1 ASPARTIC PROTEASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-10-10 EP claimed
WO-2000040558-A1 ASPARTIC PROTEASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-07-13 WO claimed

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-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP KIF11 3684/4885PDE2A 570/4885TSHR 1023/4885
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION KDM5C, KDM5B, KDM5A KIF11 3065/4885PDE2A 1218/4885TSHR 4662/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP KIF11 3646/4885PDE2A 562/4885TSHR 1036/4885
US-20050090546-A1 Aspartic protease inhibitors DPP7, SENP7, DNPEP KIF11 4067/4885PDE2A 3709/4885TSHR 1027/4885

“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.