SCHEMBL16775982

SCHEMBL16775982

C[C@@H]1CCNc2ccc(-c3cccc(C#N)c3)nc2N1C(=O)Nc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ CACNA1I Q9P0X4 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.42
▸ RPS6KA2 Q15349 1/20 0.42
▸ ATR Q13535 2/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ SGMS2 Q8NHU3 1/20 0.39
▸ AR P10275 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ TEK Q02763 1/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL16775983 0.90 HDAC2 (0.39) CACNA1GCACNA1HCACNA1IRPS6KA2ATR
SCHEMBL16775991 0.88 THRB (0.39) ATRTHRBGRM5
SCHEMBL16775989 0.88 RPS6KA3 (0.41) RPS6KA3RPS6KA2ATRPRKDC
SCHEMBL16775979 0.87 CREBBP (0.44) ATRBRAFTHRB
SCHEMBL16775942 0.86 HDAC2 (0.37) —
SCHEMBL16775993 0.85 ABL1 (0.43) RPS6KA3RPS6KA2ABL1BCRTEK
SCHEMBL16775980 0.85 GRM5 (0.39) ARGRM5
SCHEMBL16776187 0.84 RPS6KA3 (0.41) CACNA1GCACNA1HCACNA1IRPS6KA3RPS6KA2
SCHEMBL16775933 0.84 USP30 (0.39) ARGRM5
SCHEMBL16775992 0.83 GRM5 (0.40) BRAFGRM5

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 CACNA1G 4560/4885CACNA1H 4445/4885CACNA1I 4705/4885

“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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