SCHEMBL7611276

SCHEMBL7611276

CC(C)(C)OC(=O)NCC1(CO)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
HCRTR2 O43614 1/20 0.41
EPHX1 P07099 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
CA12 O43570 3/20 0.37
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
DRD2 P14416 2/20 0.35
CNR2 P34972 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX7 Q99572 2/20 0.34
CA14 Q9ULX7 1/20 0.34
APLNR P35414 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
SCHEMBL21607436 0.98 TDP1 (0.42) TDP1HCRTR2EPHX1MEN1KMT2A
SCHEMBL12598988 0.97 TDP1 (0.44) TDP1HCRTR2EPHX1MEN1KMT2A
SCHEMBL510027 0.93 TDP1 (0.46) TDP1HCRTR2EPHX1MEN1KMT2A
SCHEMBL30158378 0.86 TDP1 (0.41) TDP1HCRTR2EPHX1MEN1KMT2A
SCHEMBL12598205 0.86 HCRTR2 (0.44) TDP1HCRTR2EPHX1MEN1KMT2A
SCHEMBL4780567 0.85 EPHX1 (0.42) TDP1HCRTR2EPHX1MEN1KMT2A
SCHEMBL31050668 0.84 HCRTR2 (0.39) TDP1HCRTR2EPHX1MEN1KMT2A
SCHEMBL1076767 0.83 ALDH1A1 (0.45) TDP1HCRTR2EPHX1MEN1KMT2A
SCHEMBL1979180 0.82 MEN1 (0.39) TDP1HCRTR2MEN1KMT2AGAA
SCHEMBL1978460 0.82 USP2 (0.42) TDP1HCRTR2EPHX1MEN1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12319683-B2 Azabenzimidazole compounds and pharmaceutical NIPPON SHINYAKU CO., LTD. (JP) 2025-06-03 US disclosed
EP-3792260-B1 AZABENZIMIDAZOLE COMPOUNDS AND PHARMACEUTICAL NIPPON SHINYAKU CO LTD (JP) 2024-09-11 EP disclosed
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-20230000840-A1 THERAPEUTIC AGENTS AND PROPHYLACTIC AGENTS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS AND XEROSTOMIA NIPPON SHINYAKU CO., LTD. (JP) 2023-01-05 US disclosed
US-20230002395-A1 AZABENZIMIDAZOLE COMPOUND AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2023-01-05 US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
EP-4059933-A1 AZABENZIMIDAZOLE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2022-09-21 EP disclosed
EP-4059503-A1 THERAPEUTIC AGENT AND PROPHYLACTIC AGENT FOR FUNCTIONAL GASTROINTESTINAL DISORDERS AND XEROSTOMIA Nippon Shinyaku Co., Ltd. (JP) 2022-09-21 EP disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed
CN-109689661-A Macrocyclic inhibitors of myeloperoxidase 百时美施贵宝公司 2019-04-26 CN disclosed
US-20020128185-A1 Pharmaceutical compounds HAWAII, UNIVERSITY OF 2002-09-12 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 (7 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-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 TDP1 1172/4885HCRTR2 4552/4885EPHX1 2386/4885
US-20230002395-A1 AZABENZIMIDAZOLE COMPOUND AND MEDICINE PAM, CHRM3, AZI2 TDP1 2111/4885HCRTR2 4493/4885EPHX1 3767/4885
US-20020128185-A1 Pharmaceutical compounds XPO5, XPOT, XPO1 TDP1 1266/4885HCRTR2 3588/4885EPHX1 4147/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 TDP1 1172/4885HCRTR2 4552/4885EPHX1 2386/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 TDP1 1172/4885HCRTR2 4552/4885EPHX1 2386/4885
US-20230000840-A1 THERAPEUTIC AGENTS AND PROPHYLACTIC AGENTS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS AND XEROSTOMIA ALPI, SI, AZI2 TDP1 899/4885HCRTR2 4567/4885EPHX1 3839/4885
US-12319683-B2 Azabenzimidazole compounds and pharmaceutical PAM, CHRM3, AZI2 TDP1 1651/4885HCRTR2 4495/4885EPHX1 4076/4885

“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.