SCHEMBL6539772

SCHEMBL6539772

CCCN(CCC)C(=O)C[O]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
CA2 P00918 3/20 0.50
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 3/20 0.42
TP53 P04637 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RX1 P51575 1/20 0.35
P2RX4 Q99571 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL96263 0.90 CA12 (0.46) ALDH1A1HPGDCA12CA9CA2
SCHEMBL542743 0.84 CA12 (0.54) ALDH1A1HPGDCA12CA9CA2
SCHEMBL9432845 0.82 CA12 (0.46) ALDH1A1HPGDCA12CA9CA2
SCHEMBL11240437 0.81 ALDH1A1 (0.52) ALDH1A1HPGDCA12CA9CA2
SCHEMBL9400732 0.80 CA12 (0.48) ALDH1A1HPGDCA12CA9CA2
SCHEMBL3621282 0.80 ALDH1A1 (0.56) ALDH1A1HPGDCA12CA9CA2
SCHEMBL1224664 0.80 ALDH1A1 (0.56) ALDH1A1HPGDCA12CA9CA2
SCHEMBL8880040 0.79 ALDH1A1 (0.61) ALDH1A1HPGDCA12CA9CA2
SCHEMBL6539776 0.78 ALDH1A1 (0.54) ALDH1A1HPGDCA12CA9CA2
SCHEMBL1819894 0.78 ALDH1A1 (0.67) ALDH1A1HPGDCA12CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3741757-B1 DIHYDROINDOLIZINONE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2023-07-26 EP disclosed
CN-111630052-B Dihydroindazinone derivatives 第一三共株式会社 2023-04-18 CN disclosed
US-11530211-B2 Dihydroindolizinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-12-20 US disclosed
EP-3998107-A1 METHOD FOR PRODUCING INSULIN-PRODUCING CELL USING DIHYDROINDOLIZINONE DERIVATIVES Tokyo Institute of Technology (JP) 2022-05-18 EP disclosed
CN-114040966-A Method for producing insulin-producing cell using dihydroindolizinone derivative 国立大学法人东京工业大学 2022-02-11 CN disclosed
US-20210053965-A1 DIHYDROINDOLIZINONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-02-25 US disclosed
WO-2021006268-A1 METHOD FOR PRODUCING INSULIN-PRODUCING CELL USING DIHYDROINDOLIZINONE DERIVATIVES 国立大学法人東京工業大学 2021-01-14 WO disclosed
EP-3741757-A1 DIHYDROINDOLIZINONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2020-11-25 EP disclosed
CN-111630052-A Dihydroindazinone derivatives 第一三共株式会社 2020-09-04 CN disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 US disclosed
EP-0555825-A1 Imidazo(1,2-a)pyridines as angiotensin-II-antagonists Dr. Karl Thomae GmbH (DE) 1993-08-18 EP 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 (3 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-11530211-B2 Dihydroindolizinone derivative INSR, GPR119, IAPP ALDH1A1 55/4885HPGD 316/4885CA12 3048/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB ALDH1A1 578/4885HPGD 1448/4885CA12 937/4885
US-20210053965-A1 DIHYDROINDOLIZINONE DERIVATIVE INSR, GPR119, IAPP ALDH1A1 55/4885HPGD 316/4885CA12 3048/4885

“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.