SCHEMBL12788549

SCHEMBL12788549

Cc1nc2ccc(CNC(=O)OC(C)(C)C)cc2c(=O)n1C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.43
▸ GRM2 Q14416 1/20 0.41
▸ NAMPT P43490 5/20 0.40
▸ KDM4A O75164 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ ACACA Q13085 1/20 0.38
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CYP2D6 P10635 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
SCHEMBL12788315 0.83 ACSS2 (0.46) BRD4MEN1NPC1RAB9AKMT2A
SCHEMBL12789334 0.80 ALDH1A1 (0.37) HDAC1MEN1NPC1KMT2AHDAC10
SCHEMBL12788338 0.78 CA12 (0.43) BRD4MEN1NPC1GAARAB9A
SCHEMBL12788335 0.77 BRD4 (0.45) BRD4HDAC1MEN1RAB9AKMT2A
SCHEMBL12789420 0.77 KDM4E (0.44) MEN1KMT2ACYP2D6
SCHEMBL12789332 0.77 KDM4E (0.39) HDAC1MEN1NPC1KMT2AHDAC10
SCHEMBL12788535 0.75 ACSS2 (0.44) BRD4MEN1NPC1GAARAB9A
SCHEMBL12788860 0.73 POLB (0.44) HDAC1MEN1KMT2AHDAC6
SCHEMBL12788464 0.73 IP6K1 (0.47) MEN1NPC1GAARAB9AKMT2A
SCHEMBL3656297 0.72 DDB1 (0.57) BRD4GRM2

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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — US disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — 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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 BRD4 563/4885GRM2 226/4885NAMPT 1635/4885

“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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