SCHEMBL19736466

SCHEMBL19736466

COC(=O)c1nc2c(cc1Cl)N1CC[C@@H](C1)N2C(=O)Nc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 8/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ ALOX5 P09917 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
SCHEMBL17777018 0.90 GRM5 (0.41) MALT1GRM5SMN1; SMN2NPC1RAB9A
SCHEMBL17769884 0.90 GRM5 (0.41) MALT1GRM5SMN1; SMN2NPC1RAB9A
SCHEMBL17770383 0.88 OPRK1 (0.37) MALT1
SCHEMBL17776994 0.88 OPRK1 (0.37) MALT1
SCHEMBL17778560 0.86 GRM5 (0.43) GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL17769380 0.85 GRM5 (0.44) GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL19714137 0.84 TRPV1 (0.37) MALT1GRM5SMN1; SMN2RAB9ABTK
SCHEMBL19714221 0.84 TRPV1 (0.37) MALT1GRM5SMN1; SMN2RAB9ABTK
SCHEMBL17769452 0.84 MEN1 (0.39) GRM5RXFP1SMN1; SMN2NPC1RAB9A
SCHEMBL17777041 0.84 MEN1 (0.39) GRM5SMN1; SMN2NPC1RAB9AMEN1

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MALT1 4351/4885GRM5 3991/4885RXFP1 1182/4885

“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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