SCHEMBL637323

SCHEMBL637323

CC(=O)c1cccc2c1OCCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.55
WNT3A P56704 3/20 0.55
MTNR1A P48039 9/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL340356 0.85 KDM4E (0.44) CTNNB1WNT3AMTNR1AKDM4EALDH1A1
SCHEMBL5214590 0.85 CTNNB1 (0.55) CTNNB1WNT3AMTNR1AHDAC3HDAC4
SCHEMBL251991 0.83 KDM4E (0.56) CTNNB1WNT3AMTNR1AHDAC3HDAC4
SCHEMBL30220126 0.83 KDM4E (0.56) CTNNB1WNT3AMTNR1AHDAC3HDAC4
SCHEMBL5749913 0.82 CTNNB1 (0.59) CTNNB1WNT3AMTNR1AHDAC3HDAC4
SCHEMBL1020885 0.81 CTNNB1 (0.52) CTNNB1WNT3AMTNR1AHDAC3HDAC4
SCHEMBL1520075 0.81 PARP1 (0.64) CTNNB1WNT3AMTNR1AHDAC3HDAC4
SCHEMBL6002703 0.81 MTNR1A (0.52) CTNNB1WNT3AMTNR1AHDAC3HDAC4
SCHEMBL28753366 0.81 HDAC3 (0.63) CTNNB1WNT3AMTNR1AHDAC3HDAC4
SCHEMBL2895789 0.81 CTNNB1 (0.58) CTNNB1WNT3AMTNR1AHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 US disclosed
US-20230357145-A1 C4-CARBOXYLIC ACID-SUBSTITUTED TRYPTAMINE DERIVATIVES AND METHODS OF USING Enveric Biosciences Canada Inc. (CA) 2023-11-09 US disclosed
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-12 US disclosed
EP-3424926-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2019-01-09 EP disclosed
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-10-11 US disclosed
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-17 US disclosed
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-03-01 US disclosed
EP-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 EP disclosed
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2017-03-23 US disclosed
EP-1532149-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-25 EP disclosed
WO-2005012256-A1 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 US disclosed
WO-2004018468-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO disclosed
EP-1112270-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-07-04 EP disclosed
US-6172062-B1 ANTISEROTONIN AGENTS; GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SYNTEX (USA) LLC 2001-01-09 US disclosed
WO-2000015636-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-03-23 WO disclosed
US-5958934-A 5-HT 2B ANTAGONIST SYNTEX (U.S.A.) INC. (US) 1999-09-28 US disclosed
US-5952331-A SELECTIVE 5HT2B ANTAGONISTS; SEROTONIN RECEPTOR ANTAGONIST; TREATING DISORDERS OF THE GASTROINTESTINAL TRACK, RESTENOSIS, ASTHMA AND OBSTRUCTIVE AIRWAY DISEASE, PROSTATIC HYPERPLASIA, GENERALIZED ANXIETY, PANIC DISORDER SYNTEX (USA) INC. (US) 1999-09-14 US disclosed
US-5863924-A Aryl pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1999-01-26 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 (8 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-20230357145-A1 C4-CARBOXYLIC ACID-SUBSTITUTED TRYPTAMINE DERIVATIVES AND METHODS OF USING HTR4, HTR2C, CNR2 CTNNB1 4792/4885WNT3A 3952/4885MTNR1A 210/4885
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 CTNNB1 1675/4885WNT3A 1121/4885MTNR1A 731/4885
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 CTNNB1 1675/4885WNT3A 1121/4885MTNR1A 731/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 CTNNB1 1675/4885WNT3A 1121/4885MTNR1A 731/4885
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD CTNNB1 4770/4885WNT3A 2463/4885MTNR1A 1601/4885
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 CTNNB1 1675/4885WNT3A 1121/4885MTNR1A 731/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 CTNNB1 1915/4885WNT3A 1021/4885MTNR1A 562/4885
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 CTNNB1 1675/4885WNT3A 1121/4885MTNR1A 731/4885

“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.