SCHEMBL4491602

SCHEMBL4491602

CCC(C(=O)O)n1cc(-c2ccccc2)n(C2CC2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HTR4 Q13639 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CNR2 P34972 3/20 0.35
CNR1 P21554 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR3A P46098 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33

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
SCHEMBL4499190 0.89 CNR2 (0.36) KDM4EDRD2DRD4DRD3CNR2
SCHEMBL4514211 0.80 MDM2 (0.43) DRD2CNR2
SCHEMBL3985136 0.72 PTGS2 (0.38) KDM4EDRD2DRD4DRD3POLB
SCHEMBL8235249 0.71 ALDH1A1 (0.48) KDM4EPOLBMAPT
SCHEMBL3987226 0.68 TP53 (0.41) KDM4EPOLBMAPT
SCHEMBL74990 0.66 DRD2 (0.41) DRD2DRD4DRD3CNR2OGFRL1
SCHEMBL4499313 0.65 KDM4E (0.43) KDM4EDRD2CNR2CNR1
SCHEMBL4504666 0.65 AKR1C3 (0.41) KDM4EMAPT
SCHEMBL4502829 0.64 DRD2 (0.37) KDM4EDRD2DRD4DRD3
SCHEMBL21637936 0.62 OPRM1 (0.65) KDM4EOPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B KDM4E 4481/4885DRD2 506/4885DRD4 949/4885

“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.