SCHEMBL475540

SCHEMBL475540

CC(C)(C)OC(=O)N1CC(OCc2ccccc2)CC1CO

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.58
BDKRB2 P30411 2/20 0.47
SRC P12931 8/20 0.46
KLK7 P49862 1/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
PARP1 P09874 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
MCL1 Q07820 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
SCHEMBL30421047 1.00 ABCB1 (0.58) ABCB1BDKRB2SRCKLK7JAK2
SCHEMBL7327353 1.00 ABCB1 (0.58) ABCB1BDKRB2SRCKLK7JAK2
SCHEMBL71548 1.00 ABCB1 (0.58) ABCB1BDKRB2SRCKLK7JAK2
SCHEMBL28995867 1.00 ABCB1 (0.58) ABCB1BDKRB2SRCKLK7JAK2
SCHEMBL3855580 1.00 ABCB1 (0.58) ABCB1BDKRB2SRCKLK7JAK2
SCHEMBL1240297 0.91 ABCB1 (0.51) ABCB1BDKRB2SRCKLK7JAK2
SCHEMBL1240295 0.91 ABCB1 (0.51) ABCB1BDKRB2SRCKLK7JAK2
SCHEMBL1721741 0.91 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL30421652 0.91 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL14457250 0.91 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12194023-B2 Compositions and methods for modular control of bioorthogonal ligation THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2025-01-14 US disclosed
CN-116057045-A Fibroblast growth factor receptor kinase inhibitors 金耐特生物制药公司 2023-05-02 CN disclosed
US-20220218661-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-07-14 US disclosed
WO-2022033532-A1 FGFR AND MUTATION INHIBITOR THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2022-02-17 WO disclosed
WO-2020113077-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-04 WO disclosed
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 US disclosed
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2013-03-07 US disclosed
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BILCER GEOFFREY M (US) 2012-11-22 US disclosed
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 US disclosed
EP-1409463-B1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL MYERS SQUIBB CO (US) 2010-02-24 EP disclosed
EP-1242385-B1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA INC (US) 2009-11-25 EP disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 US disclosed
US-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression MORIARTY KEVIN J 2005-10-27 US disclosed
US-6906067-B2 N-heterocyclic inhibitors of TNF-α expression BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-14 US disclosed
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression PHARMACEOPEIA, INC. 2002-09-26 US disclosed
EP-1242385-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2002-09-25 EP disclosed
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression PHARMACOPEIA, INC. 2002-05-30 US disclosed
WO-2001047897-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2001-07-05 WO disclosed
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 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 (8 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-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, RELA, NFKBIA ABCB1 1305/4885BDKRB2 361/4885SRC 1934/4885
US-20220218661-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION CBR3, C1R, CBR1 ABCB1 3809/4885BDKRB2 685/4885SRC 1904/4885
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, GSAP ABCB1 3015/4885BDKRB2 4775/4885SRC 2989/4885
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA ABCB1 1308/4885BDKRB2 368/4885SRC 2286/4885
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA ABCB1 1308/4885BDKRB2 368/4885SRC 2286/4885
US-12194023-B2 Compositions and methods for modular control of bioorthogonal ligation CBR3, C1R, CBR1 ABCB1 3809/4885BDKRB2 685/4885SRC 1904/4885
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP ABCB1 2920/4885BDKRB2 4776/4885SRC 4375/4885
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP ABCB1 2920/4885BDKRB2 4776/4885SRC 4375/4885

“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.