SCHEMBL18263308

SCHEMBL18263308

CC(C)(C)C1CNCC(O)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.34
MAN1B1 Q9UKM7 1/20 0.33
FUCA1 P04066 4/20 0.31
GLA P06280 2/20 0.31
GAA P10253 1/20 0.31
GLB1 P16278 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
SCHEMBL21385642 0.84 GBA1 (0.42) GBA1MAN1B1
SCHEMBL18663784 0.84 GBA1 (0.42) GBA1MAN1B1
SCHEMBL21385649 0.82 GBA1 (0.32) GBA1MAN1B1
SCHEMBL18663789 0.82 GBA1 (0.32) GBA1MAN1B1
SCHEMBL20427576 0.82 GBA1 (0.32) GBA1MAN1B1
SCHEMBL12044972 0.82 CCR5 (0.32) GBA1
SCHEMBL6522910 0.76 MAN1B1 (0.33) GBA1MAN1B1FUCA1GLAGAA
SCHEMBL20427569 0.76 MAN1B1 (0.33) GBA1MAN1B1FUCA1GLAGAA
SCHEMBL18663771 0.76 MAN1B1 (0.33) GBA1MAN1B1FUCA1GLAGAA
SCHEMBL6522918 0.76 MAN1B1 (0.33) GBA1MAN1B1FUCA1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144841-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE 2022-05-12 US disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-11149040-B2 Fused triazole agonists of the APJ receptor AMGEN INC. (US) 2021-10-19 US disclosed
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 US disclosed
US-20200308189-A1 FUSED TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2020-10-01 US disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-12 US disclosed
US-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2018-08-09 US disclosed
US-9988369-B2 Heterocyclic triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2018-06-05 US disclosed
EP-3297989-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2018-03-28 EP disclosed
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-11-09 US disclosed
WO-2016191312-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-12-01 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 (12 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-20200308189-A1 FUSED TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AP3M1, GPBAR1 GBA1 4717/4885MAN1B1 3355/4885FUCA1 4738/4885
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AGTR1, AGTR2, TBXA2R GBA1 4427/4885MAN1B1 2664/4885FUCA1 4591/4885
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AGTR1, AGTR2, APLNR GBA1 4587/4885MAN1B1 2438/4885FUCA1 4704/4885
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R GBA1 4283/4885MAN1B1 2071/4885FUCA1 4471/4885
US-20220144841-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS CDK7, CDK8, CDK3 GBA1 3083/4885MAN1B1 4746/4885FUCA1 4499/4885
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, APLNR GBA1 4855/4885MAN1B1 1926/4885FUCA1 4391/4885
US-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, GPR27 GBA1 4819/4885MAN1B1 3222/4885FUCA1 4810/4885
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, APLNR GBA1 4587/4885MAN1B1 2438/4885FUCA1 4704/4885
US-11149040-B2 Fused triazole agonists of the APJ receptor TBXA2R, AP3M1, GPBAR1 GBA1 4717/4885MAN1B1 3355/4885FUCA1 4738/4885
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR GBA1 4855/4885MAN1B1 1926/4885FUCA1 4391/4885
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, AGTR1 GBA1 4825/4885MAN1B1 3158/4885FUCA1 4838/4885
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R GBA1 4283/4885MAN1B1 2071/4885FUCA1 4471/4885

“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.