SCHEMBL16775979

SCHEMBL16775979

C[C@@H]1CCNc2ccc(-c3cccc(C#N)c3)nc2N1C(=O)Nc1cccc(-c2cnco2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 3/20 0.44
▸ BRD4 O60885 2/20 0.44
▸ BRAF P15056 1/20 0.41
▸ CNR1 P21554 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ RHOA P61586 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ GPR142 Q7Z601 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ LIMK2 P53671 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ ATR Q13535 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
SCHEMBL16776108 0.90 CREBBP (0.45) CREBBPBRD4BRAFCNR1RHOA
SCHEMBL16775982 0.87 CACNA1G (0.43) BRAFTHRBATR
SCHEMBL16776407 0.87 CREBBP (0.44) CREBBPBRD4BRAFRHOAIMPDH2
SCHEMBL19670170 0.84 BRAF (0.40) CREBBPBRD4BRAFCNR1THRB
SCHEMBL16776052 0.84 CREBBP (0.43) CREBBPBRD4BRAFCNR1RHOA
SCHEMBL16775983 0.83 HDAC2 (0.39) OPRM1OPRD1MTORATR
SCHEMBL16776422 0.83 CREBBP (0.40) CREBBPBRD4BRAFRHOA
SCHEMBL16775989 0.83 RPS6KA3 (0.41) LRRK2OPRM1OPRD1MTORATR
SCHEMBL16776410 0.82 CREBBP (0.38) CREBBPBRD4BRAFRHOAIMPDH2
SCHEMBL16775991 0.82 THRB (0.39) THRBLRRK2MTORATR

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 CREBBP 528/4885BRD4 180/4885BRAF 3419/4885

“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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