SCHEMBL4243759

SCHEMBL4243759

CNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)N2.CS(=O)(=O)O

nearest known ligand 0.31

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.31
AKR1C3 P42330 1/20 0.30

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
SCHEMBL4240859 0.96 CRBN (0.32) CRBN
Hydrochloric Acid SCHEMBL4242508 0.95 CRBN (0.32) CRBN
Malonic Acid SCHEMBL4248717 0.92 CRBN (0.30) CRBN
SCHEMBL4246456 0.90 DRD2 (0.34)
SCHEMBL4235958 0.87 CHIA (0.32)
SCHEMBL4242140 0.86 DHODH (0.35)
SCHEMBL4235330 0.86 HTR4 (0.34)
SCHEMBL4244845 0.85 PARP1 (0.36)
SCHEMBL4241846 0.85 HCN1 (0.30)
SCHEMBL4239937 0.85 CDK2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093473-A1 Spiro-benzimidazoles as inhibitors of gastric acid secretion NYCOMED GMBH (DE) 2009-04-09 US claimed
EP-1899338-A1 SPIRO-BENZIMIDAZOLES AS INHIBITORS OF GASTRIC ACID SECRETION Nycomed GmbH (DE) 2008-03-19 EP claimed
WO-2006134111-A1 SPIRO-BENZIMIDAZOLES AS INHIBITORS OF GASTRIC ACID SECRETION NYCOMED GMBH (DE) 2006-12-21 WO claimed
US-20090093473-A1 Spiro-benzimidazoles as inhibitors of gastric acid secretion NYCOMED GMBH (DE) 2009-04-09 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-20090093473-A1 Spiro-benzimidazoles as inhibitors of gastric acid secretion GIPR, PGC, SLC10A2 CRBN 3674/4885AKR1C3 753/4885

“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.