SCHEMBL20875127

SCHEMBL20875127

O=C1NCC2(CCCCC2)N1c1cnccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.43
▸ CDK4 P11802 2/20 0.43
▸ CCND1 P24385 2/20 0.43
▸ CCND3 P30281 2/20 0.43
▸ CDK9 P50750 2/20 0.43
▸ CDK6 Q00534 2/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CCNH P51946 1/20 0.43
▸ MNAT1 P51948 1/20 0.43
▸ HTR1A P08908 1/20 0.38
▸ OPRM1 P35372 2/20 0.34
▸ OPRL1 P41146 2/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.33
▸ P4HTM Q9NXG6 1/20 0.33
▸ HCRTR2 O43614 1/20 0.32
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ CDK5 Q00535 1/20 0.30

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
SCHEMBL20555728 0.72 OPRM1 (0.37) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL20956353 0.72 CDK4 (0.50) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL19402045 0.71 CDK4 (0.48) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL19093367 0.68 LMNA (0.45) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL22802092 0.66 MAPT (0.44) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL1556722 0.65 NAMPT (0.36) HTR1AHCRTR2HPGD
SCHEMBL19095087 0.64 OPRM1 (0.42) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL20875068 0.64 CCNT1 (0.36) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL19096428 0.63 CHRNB2 (0.47) OPRM1OPRL1KDM4E
SCHEMBL24181957 0.62 HTR1A (0.53) HTR1AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-24 — — US disclosed
US-20210032256-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-02-04 — — US disclosed
US-10807988-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-20 — — US disclosed
US-20190106429-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2019-04-11 — — 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 (4 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-20210032256-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 CCNT1 2728/4885CDK4 510/4885CCND1 2557/4885
US-10807988-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, OPRL1 CCNT1 2728/4885CDK4 510/4885CCND1 2557/4885
US-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 CCNT1 2728/4885CDK4 510/4885CCND1 2557/4885
US-20190106429-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 CCNT1 2728/4885CDK4 510/4885CCND1 2557/4885

“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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