SCHEMBL16785655

SCHEMBL16785655

C[C@@]12CCC#CCC[C@]1(C)C2CC(=O)CCc1ccc(CC(=O)N2CCCCNc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ORAI1 Q96D31 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SYK P43405 5/20 0.32
▸ CPT2 P23786 1/20 0.32
▸ CPT1A P50416 1/20 0.32
▸ CPT1B Q92523 1/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.30
▸ KMO O15229 1/20 0.30

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
SCHEMBL16776456 0.95 ORAI1 (0.34) ORAI1MEN1KMT2ASYKCPT2
SCHEMBL16776444 0.72 MEN1 (0.34) ORAI1MEN1KMT2ACPT2CPT1A
SCHEMBL16776179 0.70 CA2 (0.45) MEN1KMT2AKMO
SCHEMBL16776316 0.70 CA12 (0.42) MEN1KMT2ANPSR1TRPV1KMO
SCHEMBL16775914 0.69 CPT2 (0.38) ORAI1MEN1KMT2ACPT2CPT1A
SCHEMBL16776447 0.69 CA2 (0.41) CNR2
SCHEMBL16775837 0.69 PHGDH (0.46) TRPV1KMO
SCHEMBL16776165 0.69 CA2 (0.43) KMT2ACYP2D6CYP2C19KMO
SCHEMBL16776305 0.69 ASAH1 (0.41) KMOCNR2
SCHEMBL16776476 0.68 CA2 (0.43) MEN1KMT2ACPT2CPT1ACPT1B

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 ORAI1 4567/4885MEN1 3676/4885KMT2A 1438/4885

“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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