SCHEMBL2729684

SCHEMBL2729684

O=C(O)c1cnc2c(c1)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
NNMT P40261 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.40
MGAM O43451 1/20 0.40
P4HA1 P13674 2/20 0.38
P4HTM Q9NXG6 2/20 0.38
RXRB P28702 2/20 0.38
NPC1 O15118 1/20 0.38
RXRA P19793 1/20 0.38
RXRG P48443 1/20 0.38
RAB9A P51151 1/20 0.38
MIF P14174 1/20 0.37
DAO P14920 1/20 0.37
SPR P35270 1/20 0.37
NLRP3 Q96P20 1/20 0.36
HCAR2 Q8TDS4 4/20 0.36

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
SCHEMBL29377632 1.00 ALDH1A1 (0.52) ALDH1A1ADRA2AADRA2BADRA2CNNMT
Hydrochloric Acid SCHEMBL846544 0.98 ALDH1A1 (0.50) ALDH1A1ADRA2AADRA2BADRA2CNNMT
SCHEMBL3805068 0.96 ALDH1A1 (0.47) ALDH1A1ADRA2AADRA2BADRA2CNNMT
SCHEMBL26607684 0.84 NNMT (0.58) ALDH1A1ADRA2AADRA2BADRA2CNNMT
SCHEMBL17675163 0.80 NNMT (0.58) ALDH1A1ADRA2AADRA2BADRA2CNNMT
SCHEMBL29618311 0.80 SPR (0.45) ALDH1A1ADRA2AADRA2BADRA2CNNMT
SCHEMBL30634351 0.76 POLB (0.40) ALDH1A1KDM4EMGAMP4HA1P4HTM
SCHEMBL16415942 0.76 POLB (0.40) ALDH1A1KDM4EMGAMP4HA1P4HTM
SCHEMBL5054886 0.76 KDM4E (0.45) ALDH1A1ADRA2AADRA2BADRA2CNNMT
SCHEMBL31133368 0.76 POLB (0.41) ALDH1A1NNMTKDM4EMGAMP4HA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4511119-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS Nuevolution A/S (DK) 2025-02-26 EP disclosed
WO-2023205251-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2023-10-26 WO disclosed
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-20200061072-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILIZATION CERENIS THERAPEUTICS HOLDING SA (FR) 2020-02-27 US disclosed
US-10220040-B2 Compounds, compositions and methods useful for cholesterol mobilization CERENIS THERAPEUTICS HOLDING SA (FR) 2019-03-05 US disclosed
US-20180064718-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILIZATION ABIONYX PHARMA (FR) 2018-03-08 US disclosed
EP-3241833-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILISATION Cerenis Therapeutics Holding SA (FR) 2017-11-08 EP disclosed
US-9757381-B2 Compounds, compositions and methods useful for cholesterol mobilization CERENIS THERAPEUTICS HOLDING SA (FR) 2017-09-12 US disclosed
US-9713619-B2 Compounds, compositions and methods useful for cholesterol mobilization CERENIS THERAPEUTICS HOLDING SA (FR) 2017-07-25 US disclosed
US-20160361318-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILIZATION CERENIS THERAPEUTICS HOLDING SA (FR) 2016-12-15 US disclosed
US-9085585-B2 Compounds, compositions and methods useful for cholesterol mobilization CERENIS THERAPEUTICS HOLDING SA (FR) 2015-07-21 US disclosed
US-20130267554-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILIZATION CERENIS THERAPEUTICS HOLDING SA (FR) 2013-10-10 US disclosed
EP-2629776-A2 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILISATION Cerenis Therapeutics Holding SA (FR) 2013-08-28 EP disclosed
US-8349833-B2 Compounds, compositions and methods useful for cholesterol mobilisation CERENIS THERAPEUTICS HOLDING SA (FR) 2013-01-08 US disclosed
US-20120129856-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILISATION CERENIS THERAPEUTICS SA (FR) 2012-05-24 US disclosed
WO-2012054535-A2 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILISATION CERENIS THERAPEUTICS SA (FR) 2012-04-26 WO disclosed
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 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-20180064718-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILIZATION CETP, LIPA, NPC1L1 ALDH1A1 2270/4885ADRA2A 2504/4885ADRA2B 2560/4885
US-10220040-B2 Compounds, compositions and methods useful for cholesterol mobilization CETP, LIPA, NPC1L1 ALDH1A1 2270/4885ADRA2A 2504/4885ADRA2B 2560/4885
US-20120129856-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILISATION CETP, NPC1L1, NPC1 ALDH1A1 2237/4885ADRA2A 2522/4885ADRA2B 2717/4885
US-20130267554-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILIZATION CETP, LIPA, NPC1L1 ALDH1A1 2270/4885ADRA2A 2504/4885ADRA2B 2560/4885
US-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 ALDH1A1 169/4885ADRA2A 1611/4885ADRA2B 1697/4885
US-20200061072-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILIZATION CETP, LIPA, NPC1L1 ALDH1A1 2270/4885ADRA2A 2504/4885ADRA2B 2560/4885
US-20160361318-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILIZATION CETP, LIPA, NPC1L1 ALDH1A1 2270/4885ADRA2A 2504/4885ADRA2B 2560/4885

“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.