SCHEMBL19706087

SCHEMBL19706087

N#Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccc(F)cn2)[C@@H]2CCCN3CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 1/20 0.42
▸ GPR6 P46095 4/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ LRRK2 Q5S007 6/20 0.39
▸ USP30 Q70CQ3 3/20 0.39
▸ MAP4K1 Q92918 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ MCHR1 Q99705 2/20 0.37
▸ CPT2 P23786 1/20 0.36
▸ CPT1A P50416 1/20 0.36
▸ CPT1B Q92523 1/20 0.36
▸ SCD O00767 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
SCHEMBL19365427 0.94 HDAC2 (0.42) HDAC2HSD11B1LRRK2USP30MAP4K1
SCHEMBL17618515 0.94 HDAC2 (0.42) HDAC2HSD11B1LRRK2USP30MAP4K1
SCHEMBL17618441 0.93 HDAC2 (0.42) HDAC2GPR6HSD11B1LRRK2USP30
SCHEMBL19704835 0.89 USP30 (0.43) HSD11B1LRRK2USP30MAP4K1CPT2
SCHEMBL19706070 0.87 LRRK2 (0.38) HDAC2GPR6HSD11B1LRRK2MAP4K1
SCHEMBL19706069 0.85 USP30 (0.39) GPR6HSD11B1LRRK2USP30MAP4K1
SCHEMBL20633151 0.85 LRRK2 (0.39) HDAC2HSD11B1LRRK2USP30MAP4K1
SCHEMBL19706194 0.84 THRB (0.41) HSD11B1LRRK2USP30
SCHEMBL19670420 0.83 HDAC2 (0.42) HDAC2GPR6USP30
SCHEMBL17618391 0.83 SCD (0.41) SCD

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HDAC2 50/4885GPR6 2629/4885HSD11B1 3528/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HDAC2 50/4885GPR6 2629/4885HSD11B1 3528/4885

“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.

Send feedback