SCHEMBL12788559

SCHEMBL12788559

Cc1nc2ccc(NC(=O)OC(C)(C)C)cc2c(=O)n1C(c1ccccc1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OGFRL1 Q5TC84 1/20 0.41
▸ ACSS2 Q9NR19 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HTR1E P28566 2/20 0.39
▸ S1PR3 Q99500 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ USP2 O75604 1/20 0.39

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
SCHEMBL12789429 0.96 KMT2A (0.42) KMT2AKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL12788315 0.84 ACSS2 (0.46) KMT2AKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL12788535 0.80 ACSS2 (0.44) KMT2AKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL12788338 0.78 CA12 (0.43) KMT2AKDM4EALDH1A1RAB9AMEN1
SCHEMBL12789372 0.77 GAA (0.43) KMT2AKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL12847377 0.77 KMT2A (0.39) KMT2AKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL12788628 0.73 ACSS2 (0.44) KMT2AKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL12789675 0.72 POLB (0.39) KMT2AKDM4ESMN1; SMN2MEN1POLB
SCHEMBL12788553 0.70 PDE3B (0.41) ALDH1A1RAB9AMAPK1BRD4GAA
SCHEMBL12788570 0.70 NPC1 (0.51) KMT2AKDM4EALDH1A1SMN1; SMN2RAB9A

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 KMT2A 3444/4885KDM4E 3477/4885ALDH1A1 833/4885

“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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