SCHEMBL2885312

SCHEMBL2885312

CN(C)C1CCCCN1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
MAP4K4 O95819 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 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
SCHEMBL20356299 0.92
SCHEMBL13226373 0.92
SCHEMBL6823815 0.81 CYP1A2 (0.32) CYP1A2
SCHEMBL8571024 0.70 ADH1A (0.32) CYP1A2
SCHEMBL23219663 0.70 CHRNB4 (0.33) CHRNB2CHRNA7CHRNA4
SCHEMBL9874179 0.70 SIGMAR1 (0.34)
SCHEMBL21884120 0.69 CYP1A2 (0.31) CYP1A2
SCHEMBL3110957 0.69
SCHEMBL21760080 0.69
SCHEMBL11418167 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-17 US disclosed
WO-2021063346-A1 KRAS G12C INHIBITOR AND APPLICATION THEREOF 上海迪诺医药科技有限公司 2021-04-08 WO disclosed
US-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2020-12-24 US disclosed
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-20 US disclosed
US-20180282341-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-10-04 US disclosed
US-7709475-B2 5-[2-(cyclohexyloxy)-6-methyl-4-pyrimidinyl]-2-[5-(4-methyl-1-piperazinyl)methyl-2-pyrazinyl]amino-1,3-thiazole; anticarcinogenic agent; G1 phase in cell cycle; great selectivity BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-04 US disclosed
US-20080081811-A1 Selective Inhibitors Against Cdk4 and Cdk6 Having Aminothiazole Skeleton BANYU PHARMACEUTICAL CO., LTD (JP) 2008-04-03 US disclosed
CN-1956982-A Selective inhibitors against Cdk4 and Cdk6 having aminothiazole skeleton BANYU PHARMA CO LTD (JP) 2007-05-02 CN disclosed
EP-1754706-A1 SELECTIVE INHIBITORS AGAINST Cdk4 AND Cdk6 HAVING AMINOTHIAZOLE SKELETON BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-21 EP disclosed
US-20060252926-A1 Process for the preparation of pregnanes SICOR, INC. 2006-11-09 US disclosed
EP-1474435-B1 PROCESS FOR THE PREPARATION OF 6-ALPHA FLUORINATED PREGNANES SICOR INC (US) 2006-02-22 EP disclosed
EP-1474435-A1 PROCESS FOR THE PREPARATION OF PREGNANES Sicor Inc. (US) 2004-11-10 EP disclosed
WO-2004052911-A1 PROCESS FOR THE PREPARATION OF PREGNANES SICOR INC. (US) 2004-06-24 WO 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-20080081811-A1 Selective Inhibitors Against Cdk4 and Cdk6 Having Aminothiazole Skeleton CDK4, CDK6, CDK3 CYP1A2 1792/4885MAP4K4 176/4885CHRNB2 4442/4885
US-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CYP1A2 573/4885MAP4K4 1711/4885CHRNB2 391/4885
US-20180282341-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 CYP1A2 573/4885MAP4K4 1711/4885CHRNB2 391/4885
US-20060252926-A1 Process for the preparation of pregnanes CYP17A1, CYP21A2, NR5A1 CYP1A2 48/4885MAP4K4 976/4885CHRNB2 644/4885
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, PKD2 CYP1A2 573/4885MAP4K4 1711/4885CHRNB2 391/4885
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CYP1A2 573/4885MAP4K4 1711/4885CHRNB2 391/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CYP1A2 573/4885MAP4K4 1711/4885CHRNB2 391/4885

“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.