SCHEMBL4092413

SCHEMBL4092413

CCC(=O)Nc1ccccc1[C]=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
GAA P10253 3/20 0.50
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 2/20 0.45
NLRP3 Q96P20 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP14 Q460N5 1/20 0.43
AHR P35869 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6539823 0.86 MAPK1 (0.63) TSHRGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL4888919 0.85 HPGD (0.44) TSHRGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL5189060 0.84 TSHR (0.72) TSHRGAAALDH1A1LMNAKDM4E
SCHEMBL4087478 0.83 TSHR (0.76) TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL8619629 0.82 MAPK1 (0.60) TSHRGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL3825267 0.82 TDP1 (0.46) TSHRGAASMN1; SMN2LMNAKDM4E
SCHEMBL17096550 0.82 CA1 (0.54) TSHRGAAKDM4EMAPK1
SCHEMBL553679 0.79 ALDH1A1 (0.57) TSHRALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL6538988 0.78 NLRP3 (0.62) GAAALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL17444748 0.77 PARP14 (0.63) GAAALDH1A1SMN1; SMN2RAB9ANPC1

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
CN-107674077-A 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation 勃林格殷格翰制药两合公司 2018-02-09 CN disclosed
CN-105001222-B 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation 勃林格殷格翰制药两合公司 2017-11-07 CN disclosed
CN-102964347-B 8-[3-amino-piperadine-1-base]-Xanthine compounds, its preparation method and the purposes as pharmaceutical preparation BOEHRINGER INGELHEIM PHARMACEUTICAL CO., LTD. (DE) 2015-11-18 CN disclosed
CN-105001222-A New 8-(3-amino-piperidin-1-yl)-xanthine derivatives, preparing method and uses thereof as a pharmaceutic preparation BOEHRINGER INGELHEIM PHARMA 2015-10-28 CN disclosed
US-8445516-B2 Pharmaceutical composition for promoting angiogenesis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-21 US disclosed
US-20090187025-A1 Pharmaceutical composition for promoting angiogenesis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-23 US disclosed
EP-1708705-B1 USE OF PIPERIDINE DERIVATIVES FOR PROMOTING ANGIOGENESIS OTSUKA PHARMA CO LTD (JP) 2009-02-18 EP disclosed
EP-1708705-A1 PHARMACEUTICAL COMPOSITION FOR PROMOTING ANGIOGENESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-10-11 EP disclosed
WO-2005072734-A1 PHARMACEUTICAL COMPOSITION FOR PROMOTING ANGIOGENESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 WO 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
EP-0102325-A1 Monoazo dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1984-03-07 EP disclosed
EP-0101408-A1 Monoazo dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1984-02-22 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 (2 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-20090187025-A1 Pharmaceutical composition for promoting angiogenesis FLT1, FLT4, KDR TSHR 4330/4885GAA 2078/4885ALDH1A1 246/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB TSHR 689/4885GAA 422/4885ALDH1A1 578/4885

“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.