SCHEMBL4235330

SCHEMBL4235330

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.34
CNR1 P21554 4/20 0.34
CNR2 P34972 4/20 0.34
RAB9A P51151 3/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CRHR1 P34998 1/20 0.33
CRHR2 Q13324 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RIPK1 Q13546 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
TSHR P16473 1/20 0.32
CREBBP Q92793 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
Oxalic Acid SCHEMBL4235251 0.97 RAB9A (0.34) HTR4CNR1CNR2RAB9ACCNA2
SCHEMBL4246456 0.97 DRD2 (0.34) HTR4CNR1CNR2RAB9ACCNA2
SCHEMBL4240859 0.89 CRBN (0.32) RAB9ACCNA2CDK2CCNA1NPC1
Hydrochloric Acid SCHEMBL4242508 0.88 CRBN (0.32) RAB9ACCNA2CDK2CCNA1NPC1
SCHEMBL4239937 0.87 CDK2 (0.34) CCNA2CDK2CCNA1KDM4EHSD17B10
SCHEMBL4235958 0.87 CHIA (0.32) CCNA2CDK2KDM4EHSD17B10
SCHEMBL4242140 0.86 DHODH (0.35) RAB9ANPC1KDM4EALDH1A1
SCHEMBL4243759 0.86 CRBN (0.31)
SCHEMBL4242410 0.85 ALDH1A1 (0.36) CNR1CNR2RAB9AKDM4EHSD17B10
SCHEMBL4241781 0.85 OPRL1 (0.34) CCNA2CDK2CCNA1KDM4EHSD17B10

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
US-20090093473-A1 Spiro-benzimidazoles as inhibitors of gastric acid secretion NYCOMED GMBH (DE) 2009-04-09 US disclosed
EP-1899338-A1 SPIRO-BENZIMIDAZOLES AS INHIBITORS OF GASTRIC ACID SECRETION Nycomed GmbH (DE) 2008-03-19 EP disclosed
WO-2006134111-A1 SPIRO-BENZIMIDAZOLES AS INHIBITORS OF GASTRIC ACID SECRETION NYCOMED GMBH (DE) 2006-12-21 WO 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 HTR4 2051/4885CNR1 4519/4885CNR2 4591/4885

“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.