SCHEMBL21786435

SCHEMBL21786435

Cn1nc(C(F)(F)F)cc1-c1ccc(OCCCN)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.37
HTR2A P28223 1/20 0.34
KCNH2 Q12809 2/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
CPB2 Q96IY4 1/20 0.33
NOTUM Q6P988 2/20 0.33
SCN9A Q15858 6/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL22787017 0.92 COMT (0.34) COMTHTR2AKCNH2PRMT5WDR77
SCHEMBL22787056 0.92 COMT (0.34) COMTHTR2AKCNH2PRMT5WDR77
SCHEMBL27364374 0.90 RARA (0.37) COMTKCNH2STIM1ORAI1NOTUM
SCHEMBL22791165 0.90 COMT (0.37) COMTHTR2AKCNH2STIM1ORAI1
SCHEMBL22791180 0.89 COMT (0.36) COMTKCNH2STIM1ORAI1NOTUM
SCHEMBL22790953 0.87 PPARD (0.34) COMTSTIM1ORAI1SCN9A
SCHEMBL27269805 0.87 COMT (0.34) COMTKCNH2NOTUMSCN9AKDM2B
SCHEMBL22790912 0.86 HTR2A (0.39) COMTHTR2AKCNH2NOTUM
SCHEMBL21786611 0.85 SLC6A4 (0.39) COMTKCNH2STIM1ORAI1SCN9A
SCHEMBL31635988 0.85 PTGER1 (0.36) COMTKCNH2STIM1ORAI1

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-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 US disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 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 (3 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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 COMT 3976/4885HTR2A 2931/4885KCNH2 4098/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 COMT 3976/4885HTR2A 2931/4885KCNH2 4098/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 COMT 3976/4885HTR2A 2931/4885KCNH2 4098/4885

“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.