SCHEMBL16775900

SCHEMBL16775900

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1ccc2c(c1)OCCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ BRAF P15056 4/20 0.40
▸ POLB P06746 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GPR142 Q7Z601 1/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ GSK3B P49841 3/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ FYN P06241 1/20 0.36
▸ SLC5A1 P13866 1/20 0.35

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
SCHEMBL16776479 0.86 SLC5A1 (0.41) LMNAMAPTSMN1; SMN2HTTBRAF
SCHEMBL19670411 0.85 MAPT (0.41) LMNAMAPTSMN1; SMN2MAPK1HTT
SCHEMBL16776472 0.85 CA2 (0.41) BRAFCA2CA9CNR1RAF1
SCHEMBL16776355 0.85 CA2 (0.41) CA2CA9FYNSLC5A1
SCHEMBL16775898 0.85 MEN1 (0.43) LMNAMAPTBRAFCA2CA9
SCHEMBL16776434 0.83 PTGER3 (0.39) BRAFCA2CA9RAF1FYN
SCHEMBL16785534 0.83 SLC5A1 (0.43) BRAFCA2CA9RAF1FYN
SCHEMBL16776293 0.82 CA2 (0.38) SMN1; SMN2BRAFCA2CA9HPGD
SCHEMBL16775894 0.82 FYN (0.37) MAPTSMN1; SMN2MAPK1BRAFCA2
SCHEMBL16776419 0.82 BRAF (0.40) LMNAMAPTSMN1; SMN2HTTBRAF

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
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 LMNA 3617/4885MAPT 267/4885SMN1; SMN2 2122/4885

“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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