SCHEMBL12396

SCHEMBL12396

C[C@@H]1CCCN(C2COC2)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 9/20 0.39
KDM2B Q8NHM5 1/20 0.38
KAT2B Q92831 1/20 0.38
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12384482 1.00 ADRA1A (0.39) ADRA1AKDM2BKAT2BALDH1A1LMNA
SCHEMBL12631 1.00 ADRA1A (0.39) ADRA1AKDM2BKAT2BALDH1A1LMNA
SCHEMBL20259924 0.87 KDM2B (0.31) ADRA1AKDM2BKAT2B
SCHEMBL21161986 0.87 KDM2B (0.31) ADRA1AKDM2BKAT2B
SCHEMBL25091210 0.87 KDM2B (0.31) ADRA1AKDM2BKAT2B
SCHEMBL17828049 0.86 KDM2B (0.41) ADRA1AKDM2BKAT2BALDH1A1LMNA
SCHEMBL12445 0.85 ADRA1A (0.39) ADRA1AKDM2BKAT2BALDH1A1LMNA
SCHEMBL12449673 0.85 ADRA1A (0.39) ADRA1AKDM2BKAT2BALDH1A1LMNA
SCHEMBL12718106 0.82 ADRA1A (0.41) ADRA1AALDH1A1LMNAKDM4EMEN1
SCHEMBL13036987 0.82 ADRA1A (0.41) ADRA1AALDH1A1LMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212535-A1 FGFR2 INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2023-11-02 WO disclosed
US-20230312605-A1 PYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF TENARX, INC. 2023-10-05 US disclosed
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed
WO-2020140055-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
WO-2020140053-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
WO-2020140052-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
WO-2020140054-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-02-08 US disclosed
US-9822120-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-11-21 US disclosed
US-20160280711-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2016-09-29 US disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 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 (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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA ADRA1A 3308/4885KDM2B 1388/4885KAT2B 1056/4885
US-20160280711-A1 Protein Kinase Inhibitors TEC, LCK, SRC ADRA1A 4745/4885KDM2B 3140/4885KAT2B 2313/4885
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC11 ADRA1A 2396/4885KDM2B 2841/4885KAT2B 103/4885
US-20230312605-A1 PYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK2, DYRK1B ADRA1A 1570/4885KDM2B 3539/4885KAT2B 3739/4885

“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.