SCHEMBL799809

SCHEMBL799809

CN1CCN(C)C(C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACE P12821 4/20 0.34
ALDH1A1 P00352 1/20 0.34
PPP5C P53041 2/20 0.33
PPP2CA P67775 1/20 0.33
TFPI2 P48307 1/20 0.33
NPY4R P50391 1/20 0.33
REN P00797 1/20 0.32
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31

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
SCHEMBL10125636 1.00 CCR2 (0.38) CCR2KCNH2ATMCYP1A2TDP1
SCHEMBL25728480 1.00 CCR2 (0.38) CCR2KCNH2ATMCYP1A2TDP1
SCHEMBL27627762 0.84 CCR2 (0.34) CCR2KCNH2
SCHEMBL27271348 0.84 CCR2 (0.38) CCR2KCNH2CYP1A2TDP1MMP1
SCHEMBL5307104 0.83 ALDH1A1 (0.39) ALDH1A1
SCHEMBL12108450 0.82 CYP1A2 (0.39) CCR2KCNH2CYP1A2TDP1MMP1
SCHEMBL13197230 0.82 CYP1A2 (0.39) CCR2KCNH2CYP1A2TDP1MMP1
SCHEMBL13448669 0.80 CCR2 (0.37) CCR2KCNH2CYP1A2TDP1MMP1
SCHEMBL14754513 0.80 CCR2 (0.37) CCR2KCNH2CYP1A2TDP1MMP1
SCHEMBL16003094 0.80 CCR2 (0.37) CCR2KCNH2CYP1A2TDP1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365576-A1 BRM Targeting Compounds And Associated Methods Of Use PRELUDE THERAPEUTICS INCORPORATED 2023-11-16 US disclosed
EP-4223759-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Broadenbio Co., Ltd. (CN) 2023-08-09 EP disclosed
CN-108463728-B Isobaric and ectopic mass marker 电泳有限公司 2023-03-24 CN disclosed
EP-3387445-B1 ISOBARIC MASS LABELS ELECTROPHORETICS LTD (GB) 2023-02-08 EP disclosed
EP-3387445-B1 ISOBARIC MASS LABELS ELECTROPHORETICS LTD (GB) 2023-02-08 EP disclosed
WO-2022266167-A1 AMIDE AND UREA-CONTAINING TRICYCLIC KRAS INHIBITORS ERASCA, INC. (US) 2022-12-22 WO disclosed
US-11453621-B2 Isobaric mass labels having n',n'-dimeihyl piperazine-2-carboxylic acid reporter moieties ELECTROPHORETICS LIMITED (GB) 2022-09-27 US disclosed
CN-115073450-A KRAS G12C Preparation and application of mutant protein inhibitor 药雅科技(上海)有限公司 2022-09-20 CN disclosed
CN-115073451-A KRAS G12D Preparation and application of mutant protein inhibitor 药雅科技(上海)有限公司 2022-09-20 CN disclosed
WO-2022095904-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京伯汇生物技术有限公司 2022-05-12 WO disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090048226-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-20090048226-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-7358273-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 US disclosed
US-7358273-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 US disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP CCR2 1326/4885KCNH2 2476/4885ATM 4868/4885
US-11453621-B2 Isobaric mass labels having n',n'-dimeihyl piperazine-2-carboxylic acid reporter moieties UCHL1, UCHL5, SRMS CCR2 402/4885KCNH2 3395/4885ATM 4806/4885
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 CCR2 1/4885KCNH2 2418/4885ATM 4605/4885
US-20090048226-A1 Inhibitors of caspases CASP1, APAF1, IRF3 CCR2 2488/4885KCNH2 3354/4885ATM 1913/4885
US-20230365576-A1 BRM Targeting Compounds And Associated Methods Of Use ABCG2, BRIX1, MRPS28 CCR2 2452/4885KCNH2 4815/4885ATM 4396/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 CCR2 615/4885KCNH2 856/4885ATM 3450/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 CCR2 865/4885KCNH2 363/4885ATM 4501/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 CCR2 93/4885KCNH2 465/4885ATM 4409/4885

“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.