SCHEMBL805497

SCHEMBL805497

CCC1CCOc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
MAP3K14 Q99558 1/20 0.39
HTR2A P28223 1/20 0.38
LMNA P02545 2/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
HTR1A P08908 2/20 0.37
SSTR4 P31391 1/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL17424104 1.00 KCNH2 (0.43) KCNH2ITGB2ICAM1ITGALMAP3K14
SCHEMBL22143980 1.00 KCNH2 (0.43) KCNH2ITGB2ICAM1ITGALMAP3K14
SCHEMBL21929395 0.82 KCNH2 (0.42) KCNH2ITGB2ICAM1ITGALMAP3K14
SCHEMBL2153529 0.82 KCNH2 (0.45) KCNH2HTR1A
SCHEMBL29960467 0.81 ITGB2 (0.41) KCNH2ITGB2ICAM1ITGALHTR2A
SCHEMBL29961247 0.81 ITGB2 (0.41) KCNH2ITGB2ICAM1ITGALMAP3K14
SCHEMBL4223377 0.81 ITGB2 (0.41) KCNH2ITGB2ICAM1ITGALHTR2A
SCHEMBL27835409 0.81 ITGB2 (0.41) KCNH2ITGB2ICAM1ITGALMAP3K14
SCHEMBL3585379 0.81 ITGB2 (0.41) KCNH2ITGB2ICAM1ITGALMAP3K14
SCHEMBL19141630 0.81 ITGB2 (0.41) KCNH2ITGB2ICAM1ITGALMAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute 2023-09-21 US disclosed
US-20230295111-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. 2023-09-21 US disclosed
US-11753397-B2 Cereblon binders for the degradation of ikaros C4 THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-20230013692-A1 ANTIMALARIAL AGENTS MERCK SHARP & DOHME LLC (US) 2023-01-19 US disclosed
US-20230009608-A1 GRK2 INHIBITORS AND USES THEREOF SONATA THERAPEUTICS, INC. 2023-01-12 US disclosed
US-20220331321-A1 ANTIMALARIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2022-10-20 US disclosed
US-20210009559-A1 CEREBLON BINDERS FOR THE DEGRADATION OF IKAROS C4 THERAPEUTICS, INC. (US) 2021-01-14 US disclosed
US-10544188-B2 Inhibitor of apoptosis protein (IAP) antagonists Sanford Burnham Prebys Medical Discovery Institute (US) 2020-01-28 US disclosed
US-10300074-B2 Use of inhibitor of apoptosis protein (IAP) antagonists in HIV therapy Sanford Burnham Prebys Medical Discovery Institute (US) 2019-05-28 US disclosed
US-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-20140235661-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-21 US disclosed
US-8765949-B2 CCR2 receptor antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-8252829-B2 Aminopyrrolidinone derivatives and uses thereof LINK MEDICINE CORPORATION (US) 2012-08-28 US disclosed
EP-1848718-B1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2012-08-01 EP disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 US disclosed
US-20110021590-A1 AMINOPYRROLIDINONE DERIVATIVES AND USES THEREOF LINK MEDICINE CORPORATION (US) 2011-01-27 US disclosed
US-20080306136-A1 Substituted Ureas and Carbamates ELAN PHARMACEUTICALS, INC. 2008-12-11 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 (16 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-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 KCNH2 3611/4885ITGB2 531/4885ICAM1 431/4885
US-20230009608-A1 GRK2 INHIBITORS AND USES THEREOF GRK2, GRK3, GRK1 KCNH2 2429/4885ITGB2 1146/4885ICAM1 3764/4885
US-11753397-B2 Cereblon binders for the degradation of ikaros CRBN, IKZF1, IKZF3 KCNH2 3956/4885ITGB2 2541/4885ICAM1 2703/4885
US-20140235661-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 KCNH2 3611/4885ITGB2 531/4885ICAM1 431/4885
US-20210009559-A1 CEREBLON BINDERS FOR THE DEGRADATION OF IKAROS CRBN, IKZF1, IKZF3 KCNH2 4232/4885ITGB2 2475/4885ICAM1 2469/4885
US-20080306136-A1 Substituted Ureas and Carbamates BACE1, BACE2, APP KCNH2 3883/4885ITGB2 4764/4885ICAM1 3800/4885
US-20230013692-A1 ANTIMALARIAL AGENTS CTSL, PRCP, PEPD KCNH2 3824/4885ITGB2 3488/4885ICAM1 2232/4885
US-10544188-B2 Inhibitor of apoptosis protein (IAP) antagonists API5, XIAP, BIRC5 KCNH2 4495/4885ITGB2 4644/4885ICAM1 1217/4885
US-10300074-B2 Use of inhibitor of apoptosis protein (IAP) antagonists in HIV therapy BIRC3, API5, XIAP KCNH2 4790/4885ITGB2 4558/4885ICAM1 355/4885
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS API5, XIAP, BIRC5 KCNH2 4533/4885ITGB2 4628/4885ICAM1 1613/4885
US-20220331321-A1 ANTIMALARIAL AGENTS CTSL, SERPINA3, SERPINB1 KCNH2 3818/4885ITGB2 2904/4885ICAM1 1770/4885
US-20110021590-A1 AMINOPYRROLIDINONE DERIVATIVES AND USES THEREOF PRMT1, PRMT5, AGTR2 KCNH2 1431/4885ITGB2 1744/4885ICAM1 2698/4885
US-20230295111-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF IKZF2, IKZF1, IKZF3 KCNH2 3650/4885ITGB2 4446/4885ICAM1 2775/4885
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 KCNH2 1325/4885ITGB2 9/4885ICAM1 119/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 KCNH2 77/4885ITGB2 2443/4885ICAM1 1964/4885
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE JAK3, JAK1, UACA KCNH2 3255/4885ITGB2 3322/4885ICAM1 1139/4885

“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.