SCHEMBL12788964

SCHEMBL12788964

Cc1nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2c(=O)n1C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ NR2F2 P24468 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GPR119 Q8TDV5 2/20 0.42
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ GBA1 P04062 2/20 0.42
▸ TLR9 Q9NR96 2/20 0.41
▸ TLR7 Q9NYK1 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ KIT P10721 1/20 0.41

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
SCHEMBL12847304 0.81 HTR7 (0.39) HTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL12788435 0.81 TERT (0.45) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL12788338 0.76 CA12 (0.43) NPC1ALDH1A1
SCHEMBL13329112 0.75 P2RX7 (0.41) P2RX7LMNANPC1NR2F2HTT
SCHEMBL13250063 0.75 PARP1 (0.40) NPC1HTTGPR119CKS1BSKP1
SCHEMBL12789060 0.75 GPR119 (0.51) GPR119
SCHEMBL20242567 0.74 MET (0.47) PDK2LMNASMN1; SMN2GPR119CKS1B
SCHEMBL13250033 0.73 PARP1 (0.39) GPR119CKS1BSKP1SKP2MAPT
SCHEMBL23629089 0.73 JAK2 (0.51) PDK2P2RX7LMNANPC1NR2F2
SCHEMBL9102932 0.73 TDO2 (0.54) PDK2LMNANPC1NR2F2HTT

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 PDK2 647/4885P2RX7 267/4885LMNA 3472/4885

“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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