SCHEMBL649802

SCHEMBL649802

N[C@H]1CC[C@H](Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.52
BCL2A1 Q16548 1/20 0.48
EPHX2 P34913 4/20 0.48
MAOB P27338 5/20 0.48
KDM1A O60341 2/20 0.48
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
LIPE Q05469 1/20 0.41
ADRB2 P07550 1/20 0.41
MAOA P21397 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MMP13 P45452 2/20 0.40
MMP2 P08253 1/20 0.40
MMP12 P39900 1/20 0.39

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
SCHEMBL648451 1.00 TEAD1 (0.52) TEAD1BCL2A1EPHX2MAOBKDM1A
SCHEMBL22731878 1.00 TEAD1 (0.52) TEAD1BCL2A1EPHX2MAOBKDM1A
Hydrochloric Acid SCHEMBL30152387 0.98 TEAD1 (0.51) TEAD1BCL2A1EPHX2MAOBKDM1A
SCHEMBL29090107 0.91 TEAD1 (0.59) TEAD1BCL2A1EPHX2MAOBFPR2
SCHEMBL23206925 0.90 BCL2A1 (0.58) TEAD1BCL2A1EPHX2MAOBKDM1A
SCHEMBL23230941 0.90 BCL2A1 (0.58) TEAD1BCL2A1EPHX2MAOBKDM1A
Hydrochloric Acid SCHEMBL23167122 0.88 BCL2A1 (0.57) TEAD1BCL2A1EPHX2MAOBKDM1A
SCHEMBL2013324 0.84 PARP10 (0.47) EPHX2KDM1A
SCHEMBL23231040 0.84 BCL2A1 (0.46) TEAD1BCL2A1EPHX2MAOBKDM1A
SCHEMBL9913889 0.84 BCL2A1 (0.46) TEAD1BCL2A1EPHX2MAOBKDM1A

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
US-20240286994-A1 NOVEL SQUARAMIDE DERIVATIVE AND USE THEREOF PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2024-08-29 US disclosed
WO-2024122961-A1 NOVEL 2-((TRANS-4-(4-ARYLOXY)CYCLOHEXYL)AMINO)QUINAZOLINONE DERIVATIVE AND METHOD FOR PREPARING SAME 부산대학교 산학협력단 2024-06-13 WO disclosed
WO-2024123038-A1 NOVEL 2-((TRANS-4-(4-ARYLOXY)CYCLOHEXYL)AMINO)QUINAZOLINONE DERIVATIVE AND METHOD FOR PREPARING SAME 주식회사 넥스세라 2024-06-13 WO disclosed
US-20240076272-A1 Activators of Heme Regulated Inhibitor Kinase (HRI) THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2024-03-07 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-26 US disclosed
US-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-26 US disclosed
WO-2021067805-A1 OXALAMIDE HETEROBYCYCLIC COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 WO disclosed
WO-2021067805-A1 OXALAMIDE HETEROBYCYCLIC COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 WO disclosed
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) MADAR DAVID J 2007-11-15 US disclosed
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) MADAR DAVID J 2007-10-11 US disclosed
US-7262207-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-08-28 US disclosed
EP-1560811-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2007-08-01 EP disclosed
US-7238724-B2 Antidiabetic agents; hyperlipemic agents; obestity; immunomoderator; atherosclerosis ABBOTT LABORATORIES (US) 2007-07-03 US disclosed
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-29 US disclosed
EP-1560811-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2004-12-23 US disclosed
US-20040121964-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2004-06-24 US disclosed
WO-2004026822-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2004-04-01 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 (9 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-20240286994-A1 NOVEL SQUARAMIDE DERIVATIVE AND USE THEREOF EIF3E, EIF3A, EIF3K TEAD1 2120/4885BCL2A1 2959/4885EPHX2 2926/4885
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 TEAD1 4465/4885BCL2A1 4648/4885EPHX2 2757/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 TEAD1 4/4885BCL2A1 4471/4885EPHX2 988/4885
US-20040121964-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 TEAD1 4465/4885BCL2A1 4648/4885EPHX2 2757/4885
US-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TEAD1 824/4885BCL2A1 1216/4885EPHX2 1579/4885
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 TEAD1 4428/4885BCL2A1 4636/4885EPHX2 2739/4885
US-20240076272-A1 Activators of Heme Regulated Inhibitor Kinase (HRI) EEF2K, ATF4, EIF2AK4 TEAD1 1304/4885BCL2A1 1872/4885EPHX2 3133/4885
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 TEAD1 4428/4885BCL2A1 4636/4885EPHX2 2739/4885
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 TEAD1 4465/4885BCL2A1 4648/4885EPHX2 2757/4885

“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.