SCHEMBL17984970

SCHEMBL17984970

CN(C)CCN=Cc1ccnc(CC(N)CCN(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ SCN3A Q9NY46 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
SCHEMBL17984969 0.74 MAP1LC3B (0.33) —
SCHEMBL17984971 0.73 CHRM2 (0.40) CHRM2
SCHEMBL16305536 0.73 CHRM2 (0.40) CHRM2
SCHEMBL17984983 0.71 CHRM2 (0.38) CHRM2
SCHEMBL16305531 0.68 TERT (0.39) CHRM2
SCHEMBL16293473 0.68 TERT (0.39) CHRM2
SCHEMBL12483007 0.63 MAOA (0.49) CHRM2
SCHEMBL11257069 0.63 MAOA (0.49) CHRM2
SCHEMBL13039651 0.63 MAOA (0.49) CHRM2
SCHEMBL673967 0.62 CA2 (0.49) —

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 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-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CHRM2 3004/4885SLC6A2 4766/4885SLC6A4 4691/4885

“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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