SCHEMBL21237481

SCHEMBL21237481

COC(=O)c1c(Cl)cc(Br)cc1CC#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 4/20 0.35
HSP90B1 P14625 1/20 0.34
CSNK2A1 P68400 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NOTUM Q6P988 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
GPR35 Q9HC97 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
MAPK1 P28482 1/20 0.31
P2RX3 P56373 1/20 0.31
NPC1 O15118 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
SCHEMBL20562607 0.83 NOTUM (0.41) LMNASMN1; SMN2HPGDHSP90B1NOTUM
SCHEMBL24457694 0.83 NOTUM (0.36) SMN1; SMN2KDM4ENOTUMMEN1ALDH1A1
SCHEMBL1003315 0.82 HPGD (0.38) LMNASMN1; SMN2HPGDHSP90B1KDM4E
SCHEMBL5787779 0.79 NOTUM (0.43) LMNAHPGDHSP90B1KDM4ENOTUM
SCHEMBL29026633 0.77 LMNA (0.49) LMNASMN1; SMN2HPGDMEN1ALDH1A1
SCHEMBL31027123 0.74 OPRK1 (0.36) LMNAKDM4EALDH1A1MAPTTSHR
SCHEMBL25171205 0.74 OPRK1 (0.36) LMNAKDM4EALDH1A1MAPTTSHR
SCHEMBL24456980 0.74 NR4A2 (0.44) LMNAHPGDCSNK2A1KDM4EALDH1A1
SCHEMBL612875 0.73 CYP3A4 (0.47) LMNASMN1; SMN2HPGDHSP90B1KDM4E
SCHEMBL31057270 0.72 GAA (0.45) LMNAHPGDHSP90B1KDM4ENOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392107-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2020-12-17 US disclosed
US-20200392107-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2020-12-17 US disclosed
EP-3747879-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2020-12-09 EP disclosed
EP-3747879-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2020-12-09 EP disclosed
WO-2019151270-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF 東レ株式会社 2019-08-08 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 (1 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-20200392107-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF NPR3, SLC10A1, CNR2 LMNA 4220/4885SMN1; SMN2 3077/4885HPGD 727/4885

“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.