SCHEMBL19977249

SCHEMBL19977249

CC(C)c1cnc2c(c1)NCCO2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 16/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM5 P41594 2/20 0.33
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL1191469 0.78 ALDH1A1 (0.50) MAP4K1ALDH1A1GAAMAPTHSD17B10
SCHEMBL19041889 0.76 MAP4K1 (0.39) MAP4K1ALDH1A1GAAMAPTHSD17B10
SCHEMBL17630687 0.75 MAP4K1 (0.38) MAP4K1ALDH1A1GAAMAPTHSD17B10
SCHEMBL34470940 0.75 MAP4K1 (0.38) MAP4K1ALDH1A1GAAMAPTHSD17B10
SCHEMBL752154 0.75 MAP4K1 (0.38) MAP4K1ALDH1A1GAAMAPTHSD17B10
SCHEMBL24723495 0.75 MAP4K1 (0.38) MAP4K1ALDH1A1GAAMAPTHSD17B10
SCHEMBL22006677 0.74 GRM5 (0.41) MAP4K1ALDH1A1GAAMAPTHSD17B10
SCHEMBL22802930 0.74 MAP4K1 (0.36) MAP4K1ALDH1A1GAAMAPTHSD17B10
SCHEMBL84582 0.74 GRM5 (0.50) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL24722973 0.74 ALPL (0.37) MAP4K1ALDH1A1GAAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037342-B2 Substituted eneoxindoles and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-16 US disclosed
EP-4223759-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Broadenbio Co., Ltd. (CN) 2023-08-09 EP disclosed
US-20230183262-A1 SUBSTITUTED ENEOXINDOLES AND USES THEREOF GILEAD SCIENCES, INC. 2023-06-15 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
WO-2022095904-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京伯汇生物技术有限公司 2022-05-12 WO disclosed
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 US disclosed
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-25 US disclosed
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
US-10717736-B2 Pyrrole amides as alpha V integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-21 US disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-05 US disclosed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
US-20180079759-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2018-03-22 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-10464951-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR MAP4K1 3107/4885ALDH1A1 2724/4885GAA 2687/4885
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 MAP4K1 2041/4885ALDH1A1 919/4885GAA 2716/4885
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 MAP4K1 1985/4885ALDH1A1 491/4885GAA 1655/4885
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 MAP4K1 2740/4885ALDH1A1 981/4885GAA 2353/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 MAP4K1 1934/4885ALDH1A1 986/4885GAA 2702/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV MAP4K1 1968/4885ALDH1A1 1153/4885GAA 2854/4885
US-20230183262-A1 SUBSTITUTED ENEOXINDOLES AND USES THEREOF HIPK1, HPGDS, HIPK3 MAP4K1 122/4885ALDH1A1 1940/4885GAA 2910/4885
US-12037342-B2 Substituted eneoxindoles and uses thereof HIPK1, HPGDS, HIPK3 MAP4K1 122/4885ALDH1A1 1940/4885GAA 2910/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 MAP4K1 1934/4885ALDH1A1 986/4885GAA 2702/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 MAP4K1 2323/4885ALDH1A1 1029/4885GAA 2542/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 MAP4K1 2703/4885ALDH1A1 1202/4885GAA 2287/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 MAP4K1 1823/4885ALDH1A1 545/4885GAA 2407/4885
US-10717736-B2 Pyrrole amides as alpha V integrin inhibitors ITGAV, ITGB1, ITGA1 MAP4K1 2041/4885ALDH1A1 919/4885GAA 2716/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV MAP4K1 1741/4885ALDH1A1 431/4885GAA 1625/4885
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF PHKG1, MAP4K5, HIPK1 MAP4K1 9/4885ALDH1A1 3407/4885GAA 2586/4885
US-20180079759-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR MAP4K1 3107/4885ALDH1A1 2724/4885GAA 2687/4885

“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.