SCHEMBL16776027

SCHEMBL16776027

CC1(C)CCN(c2cccc(-c3ccc4c(n3)N(C(=O)Nc3cnccn3)CCCN4)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 4/20 0.44
▸ USP2 O75604 4/20 0.39
▸ CYP1A2 P05177 4/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PRKCI P41743 2/20 0.37
▸ FAAH O00519 3/20 0.36
▸ SYK P43405 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ KIT P10721 1/20 0.34

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
SCHEMBL16776005 0.90 KARS1 (0.50) KARS1USP2CYP1A2CYP2C19CYP3A4
SCHEMBL16776042 0.89 FGFR4 (0.40) KARS1USP2CYP1A2CYP2C19CYP3A4
SCHEMBL16776034 0.86 RPS6KA2 (0.44) USP2CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL16776051 0.85 PRKCI (0.36) USP2CYP1A2CYP2C19CYP3A4TSHR
SCHEMBL16776074 0.83 KARS1 (0.43) KARS1CYP3A4CYP2D6SIRT2PRKCI
SCHEMBL16776160 0.83 KARS1 (0.40) KARS1FGFR4
SCHEMBL16776150 0.83 KCNH2 (0.39) KARS1SIRT2SMN1; SMN2FAAHCYP11B2
SCHEMBL16776107 0.82 RAB9A (0.37) SIRT2MEN1KMT2AFAAHCYP11B2
SCHEMBL16775818 0.82 ALOX15 (0.46) KARS1CYP3A4TSHRCYP2D6SIRT2
SCHEMBL16776153 0.81 FYN (0.42) USP2CYP1A2CYP2C19CYP3A4MAPK1

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KARS1 1760/4885USP2 218/4885CYP1A2 3492/4885

“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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