SCHEMBL10223327

SCHEMBL10223327

CC(C)c1cc(N2CCOCC2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.58
▸ KMO O15229 1/20 0.53
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PIK3CB P42338 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ LRRK2 Q5S007 4/20 0.43
▸ ELOVL1 Q9BW60 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ ITGB2 P05107 1/20 0.42
▸ ICAM1 P05362 1/20 0.42
▸ ITGAL P20701 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ EGFR P00533 2/20 0.41

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
SCHEMBL22873760 0.84 CYP2C19 (0.52) CYP2C19KMOHTTSMN1; SMN2PIK3CB
SCHEMBL11960323 0.84 SMN1; SMN2 (0.46) CYP2C19SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL21442869 0.83 KMO (0.56) CYP2C19KMOHTTSMN1; SMN2PIK3CB
SCHEMBL13034784 0.83 SMN1; SMN2 (0.49) CYP2C19SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL31110333 0.82 CYP2C19 (0.68) CYP2C19KMOHTTSMN1; SMN2PIK3CB
SCHEMBL11960308 0.81 HRH4 (0.53) CYP2C19ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL12295201 0.79 JAK2 (0.39) CYP2C19KMOLRRK2PIK3CA
SCHEMBL16903679 0.79 LRRK2 (0.44) CYP2C19LRRK2
SCHEMBL11960332 0.78 LRRK2 (0.43) CYP2C19KMOALDH1A1CYP1A2MAPT
SCHEMBL11960320 0.78 LRRK2 (0.45) CYP2C19HTTLRRK2ITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 — — US disclosed
US-11396506-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2022-07-26 — — US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 — — US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 — — US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 — — US disclosed
US-9309240-B2 Pyrazolopyridine compounds, compositions and methods of use GENENTECH, INC. (US) 2016-04-12 — — US disclosed
US-20140206702-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-07-24 — — US disclosed
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 — — US disclosed
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-09-26 — — US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 — — US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 — — US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 — — US disclosed
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE NOVARTIS AG (CH) 2010-05-27 — — US disclosed
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE NOVARTIS AG (CH) 2010-05-27 — — US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 — — US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 — — US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 — — US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 — — US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 — — US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 — — 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 (15 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-11396506-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 CYP2C19 4347/4885KMO 4745/4885HTT 4528/4885
US-20140206702-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX6, P2RY6, CYP2D6 CYP2C19 81/4885KMO 2342/4885HTT 2039/4885
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CYP2C19 3954/4885KMO 4222/4885HTT 4656/4885
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX5, P2RX4, P2RY1 CYP2C19 29/4885KMO 720/4885HTT 3889/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CYP2C19 4590/4885KMO 4494/4885HTT 572/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CYP2C19 3954/4885KMO 4222/4885HTT 4656/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CYP2C19 612/4885KMO 777/4885HTT 4512/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 CYP2C19 3617/4885KMO 856/4885HTT 1048/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET CYP2C19 4235/4885KMO 2009/4885HTT 566/4885
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 CYP2C19 4220/4885KMO 2595/4885HTT 3376/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 CYP2C19 4141/4885KMO 4597/4885HTT 4639/4885
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R CYP2C19 11/4885KMO 204/4885HTT 1676/4885
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE CSF1R, CSF3R, FLT3 CYP2C19 3072/4885KMO 1324/4885HTT 3524/4885
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 CYP2C19 4347/4885KMO 4745/4885HTT 4528/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET CYP2C19 4235/4885KMO 2009/4885HTT 566/4885

“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.

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