SCHEMBL16775942

SCHEMBL16775942

C[C@@H]1CCNc2ccc(-c3cccc(C#N)c3)nc2N1C(=O)Nc1ccncc1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 1/20 0.37
▸ ROCK2 O75116 5/20 0.36
▸ MLNR O43193 2/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ GPR6 P46095 1/20 0.34
▸ WDR5 P61964 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ GSK3B P49841 1/20 0.34

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
SCHEMBL16775982 0.86 CACNA1G (0.43) —
SCHEMBL19670155 0.86 HDAC2 (0.36) HDAC2ROCK2SLC22A12MTORADORA2A
SCHEMBL16775983 0.86 HDAC2 (0.39) HDAC2MLNRMTORADORA2AGSK3B
SCHEMBL16775991 0.86 THRB (0.39) HDAC2MLNRMTORADORA2A
SCHEMBL16775950 0.85 SLC5A1 (0.40) ROCK2KIT
SCHEMBL16775980 0.84 GRM5 (0.39) MLNRMTORADORA2AGSK3B
SCHEMBL16775952 0.83 GPR65 (0.36) HDAC2
SCHEMBL16775989 0.83 RPS6KA3 (0.41) MLNRMTORADORA2A
SCHEMBL16775933 0.82 USP30 (0.39) MLNRMTORADORA2A
SCHEMBL16775992 0.81 GRM5 (0.40) HDAC2MLNRMTORADORA2AGPR6

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 HDAC2 50/4885ROCK2 3343/4885MLNR 3970/4885

“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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