SCHEMBL16293306

SCHEMBL16293306

c1ccc(CN(CCCCNCc2ccccn2)C2CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.55
▸ CXCR4 P61073 6/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ SCN8A Q9UQD0 1/20 0.43
▸ ACKR3 P25106 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL16006904 0.84 ACKR3 (0.39) CHRM2CXCR4CYP3A4CYP2D6ACKR3
SCHEMBL28168442 0.82 KDM5B (0.44) CYP2D6KDM4EACKR3CYP1A2ALDH1A1
SCHEMBL16006933 0.81 CXCR4 (0.37) CHRM2CXCR4CYP3A4CYP2D6ACKR3
SCHEMBL16741961 0.76 CHRM2 (0.92) CHRM2CYP2D6KDM4ESCN8ACYP1A2
SCHEMBL4515742 0.75 CHRM2 (0.55) CHRM2CYP3A4KDM4ESCN8ACYP1A2
SCHEMBL16293260 0.74 CHRM2 (0.71) CHRM2KDM4ESCN8ASIRT2ALDH1A1
SCHEMBL16291869 0.74 KDM5B (0.50) KDM4EACKR3
SCHEMBL1879660 0.73 CXCR4 (0.51) CXCR4CYP3A4KDM4ECYP1A2ALDH1A1
SCHEMBL29823344 0.73 CXCR4 (0.51) CXCR4CYP3A4KDM4ECYP1A2ALDH1A1
SCHEMBL4067665 0.73 CHRM2 (0.70) CHRM2KDM4ESCN8ASIRT2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — US 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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CHRM2 3004/4885CXCR4 4530/4885CYP3A4 2124/4885

“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.

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