SCHEMBL17984994

SCHEMBL17984994

CN(C)CC=CCNCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.47
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ ALOX15 P16050 1/20 0.45
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CXCR4 P61073 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ SCN8A Q9UQD0 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 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
SCHEMBL18359833 0.80 CHRM2 (0.49) CHRM2MAOAMAOBALOX15KDM4E
SCHEMBL19594926 0.80 CHRM2 (0.49) CHRM2MAOAMAOBALOX15KDM4E
SCHEMBL15994193 0.78 RECQL (0.38) KDM4ESIRT2
SCHEMBL16292741 0.78 RECQL (0.38) KDM4ESIRT2
SCHEMBL16293636 0.77 KDM5B (0.36) SIRT2
SCHEMBL16006900 0.77 KDM5B (0.36) SIRT2
SCHEMBL16293633 0.77 KDM5B (0.36) SIRT2
SCHEMBL12832037 0.75 CHRM2 (0.58) CHRM2MAOAMAOBALOX15KDM4E
SCHEMBL5027291 0.74 CHRM2 (0.62) CHRM2MAOAMAOBALOX15CYP2D6
SCHEMBL29438821 0.74 CHRM2 (0.70) CHRM2MAOAMAOBALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — US claimed

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-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CHRM2 3004/4885MAOA 1678/4885MAOB 1515/4885

“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.

Send feedback