SCHEMBL370271

SCHEMBL370271

CC1(C)OB(C2=CCN(C(=O)O)C2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
MAPK1 P28482 1/20 0.39
ROCK1 Q13464 1/20 0.33
P4HB P07237 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
F2 P00734 1/20 0.31
F11 P03951 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
FFAR1 O14842 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
SCHEMBL31078532 0.87 P2RX7 (0.41) P2RX7MAPK1ROCK1
SCHEMBL378063 0.84 P2RX7 (0.46) P2RX7MAPK1ROCK1P4HBF2
SCHEMBL1441509 0.84 P2RX7 (0.46) P2RX7MAPK1ROCK1P4HB
SCHEMBL31078502 0.83 P2RX7 (0.38) P2RX7MAPK1ROCK1
SCHEMBL31088410 0.82
SCHEMBL986716 0.82 P2RX7 (0.51) P2RX7MAPK1F2F11PRSS1
SCHEMBL18136665 0.82 P2RX7 (0.37) P2RX7MAPK1ROCK1
SCHEMBL1763807 0.80 USP30 (0.41) P2RX7MAPK1
SCHEMBL25306234 0.76 SMN1; SMN2 (0.43) P2RX7MAPK1LPLLIPG
SCHEMBL18984390 0.75 P2RX7 (0.46) P2RX7MAPK1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024141444-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-07-04 WO disclosed
CN-118201920-A PAPD5 inhibitors and methods of use thereof 儿童医疗中心公司 2024-06-14 CN disclosed
US-12006325-B2 Substituted furanopyrimidine compounds as PDE1 inhibitors DART NEUROSCIENCE, LLC (US) 2024-06-11 US disclosed
US-20240150358-A1 PURINES AND METHODS OF THEIR USE Kineta, Inc. 2024-05-09 US disclosed
US-20240124490-A1 INHIBITORS OF HPK1 AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2024-04-18 US disclosed
WO-2024015251-A1 INHIBITORS OF HPK1 AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2024-01-18 WO disclosed
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-09-21 US disclosed
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2023-08-31 US disclosed
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 WO disclosed
WO-2023121238-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed
WO-2016189011-A1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-12-01 WO disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
EP-3013337-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS Abbvie Inc. (US) 2016-05-04 EP disclosed
WO-2016057924-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS GENENTECH, INC. (US) 2016-04-14 WO disclosed
WO-2014210255-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2014-12-31 WO disclosed
EP-2595986-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-29 EP disclosed
WO-2012009009-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 WO disclosed
EP-2265600-A1 PYRIDINYL AMIDES FOR THE TREATMENT OF CNS AND METABOLIC DISORDERS Pfizer Inc. (US) 2010-12-29 EP disclosed
WO-2009098576-A1 PYRIDINYL AMIDES FOR THE TREATMENT OF CNS AND METABOLIC DISORDERS PFIZER INC. (US) 2009-08-13 WO disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 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-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders HTR6, HTR5A, TPH1 P2RX7 134/4885MAPK1 1674/4885ROCK1 1645/4885
US-12006325-B2 Substituted furanopyrimidine compounds as PDE1 inhibitors PDE4A, PDE5A, PDE3A P2RX7 431/4885MAPK1 221/4885ROCK1 34/4885
US-20240150358-A1 PURINES AND METHODS OF THEIR USE PNP, NUDT1, HPRT1 P2RX7 38/4885MAPK1 3420/4885ROCK1 4361/4885
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS PDE4A, PDE5A, PDE3A P2RX7 431/4885MAPK1 221/4885ROCK1 34/4885
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE NLN, GRIN2C, BCHE P2RX7 1646/4885MAPK1 4560/4885ROCK1 4573/4885
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 P2RX7 359/4885MAPK1 137/4885ROCK1 2117/4885
US-20240124490-A1 INHIBITORS OF HPK1 AND METHODS OF USE THEREOF PHKG1, HIPK1, PHKG2 P2RX7 3576/4885MAPK1 264/4885ROCK1 601/4885

“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.