SCHEMBL12788962

SCHEMBL12788962

Cc1nc2ccc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2c(=O)n1C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ GPR119 Q8TDV5 9/20 0.41
▸ USP30 Q70CQ3 2/20 0.40
▸ MAP4K4 O95819 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37

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
SCHEMBL12788957 0.94 MEN1 (0.45) MEN1KMT2AGPR119USP30JAK2
SCHEMBL12788980 0.85 GAA (0.36) MEN1KMT2A
SCHEMBL12788919 0.84 ALDH1A1 (0.40) MEN1KMT2A
SCHEMBL12847214 0.83 FGFR1 (0.38) —
SCHEMBL12788914 0.83 ALDH1A1 (0.41) MEN1KMT2A
SCHEMBL12788871 0.82 ALDH1A1 (0.43) MEN1KMT2A
SCHEMBL12788335 0.81 BRD4 (0.45) MEN1KMT2A
SCHEMBL12789060 0.80 GPR119 (0.51) GPR119
SCHEMBL12788961 0.79 NTSR1 (0.33) —
SCHEMBL12846931 0.77 SMN1; SMN2 (0.38) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297117-B1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME (US) 2012-10-31 — — EP disclosed
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 MEN1 3069/4885KMT2A 3444/4885GPR119 1/4885

“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