SCHEMBL4246456

SCHEMBL4246456

CS(=O)(=O)O.Cc1nc2c3c(c(C(=O)NC4CC4)cc2n1C)CCC1(Cc2ccccc2C1)N3

nearest known ligand 0.35

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 12)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 8/20 0.34
DRD3 known ✓ P35462 8/20 0.34
HTR4 Q13639 3/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
RAB9A P51151 1/20 0.32
CRHR1 P34998 1/20 0.32
CRHR2 Q13324 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL4235330 0.97 HTR4 (0.34) HTR4CCNA2CDK2CCNA1CNR1
SCHEMBL4243759 0.90 CRBN (0.31)
SCHEMBL4240859 0.86 CRBN (0.32) CCNA2CDK2CCNA1RAB9A
Hydrochloric Acid SCHEMBL4242508 0.85 CRBN (0.32) CCNA2CDK2CCNA1RAB9A
SCHEMBL4239937 0.84 CDK2 (0.34) CCNA2CDK2CCNA1
SCHEMBL4235958 0.84 CHIA (0.32) CCNA2CDK2
SCHEMBL4242140 0.83 DHODH (0.35) RAB9A
SCHEMBL4242410 0.83 ALDH1A1 (0.36) CNR1CNR2RAB9A
SCHEMBL4241781 0.83 OPRL1 (0.34) CCNA2CDK2CCNA1
SCHEMBL4244845 0.82 PARP1 (0.36)

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 1 patent. 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 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 DRD2 4032/4885DRD3 3905/4885HTR4 2051/4885

“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.