SCHEMBL21237482

SCHEMBL21237482

Nc1cc(Cl)c2c(c1)CCN2Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGER2 P43116 2/20 0.39
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
OPRL1 P41146 2/20 0.37
OPRM1 P35372 1/20 0.37
CHKA P35790 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TRAP1 Q12931 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL21237538 0.93 KDM4E (0.43) PTGER4KDM4EALDH1A1PTGER2CHRM5
SCHEMBL21237454 0.89 ALDH1A1 (0.39) PTGER4KDM4EALDH1A1PTGER2CHKA
SCHEMBL21224603 0.88 PTGER4 (0.49) PTGER4KDM4EALDH1A1PTGER2
SCHEMBL22754088 0.86 PTGER4 (0.45) PTGER4KDM4EALDH1A1PTGER2CHKA
SCHEMBL21237544 0.84 ALDH1A1 (0.46) PTGER4ALDH1A1CHRM5HTR2C
SCHEMBL21237733 0.81 PTGER4 (0.44) PTGER4KDM4EALDH1A1PTGER2CHRM5
SCHEMBL21237735 0.79 KDM4E (0.44) KDM4EALDH1A1SIRT2SIRT1
SCHEMBL15524906 0.79 KDM4E (0.43) KDM4EALDH1A1HDAC1HDAC8HDAC6
SCHEMBL21237597 0.79 PTGER4 (0.44) PTGER4KDM4EALDH1A1PTGER2CHRM5
SCHEMBL22754114 0.77 PTGER4 (0.43) PTGER4KDM4EALDH1A1PTGER2CHRM5

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 6 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
CN-111566098-A Cyclic amine derivatives and pharmaceutical use thereof 东丽株式会社 2020-08-21 CN 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 PTGER4 508/4885KDM4E 3054/4885ALDH1A1 417/4885

“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.