SCHEMBL17777041

SCHEMBL17777041

COC(=O)c1ccc2c(n1)N(C(=O)Nc1ccccn1)[C@H]1CCN2C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GRM5 P41594 3/20 0.36
▸ FAAH O00519 1/20 0.36
▸ FGFR4 P22455 1/20 0.36

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
SCHEMBL17769611 0.94 GRM5 (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17776973 0.90 TRPV1 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17769981 0.90 MEN1 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL19713865 0.90 MEN1 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17777113 0.89 MEN1 (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17777056 0.89 MEN1 (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL16754464 0.89 TRPV1 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17775617 0.89 TRPV1 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17770422 0.89 OPRK1 (0.36) KDM4E
SCHEMBL19714184 0.89 NPC1 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — 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 (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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MEN1 3209/4885KMT2A 1870/4885NPC1 3047/4885

“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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