SCHEMBL4499190

SCHEMBL4499190

CCC(C(=O)O)n1cc(-c2ccc(Cl)cc2)n(C2CC2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
DRD2 P14416 3/20 0.36
SLC6A4 P31645 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MDM2 Q00987 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 3/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4514211 0.91 MDM2 (0.43) CNR2DRD2SLC6A4MDM2TP53
SCHEMBL4491602 0.89 KDM4E (0.36) CNR2DRD2KDM4EDRD3DRD4
SCHEMBL4503417 0.88 MAP3K5 (0.36) SLC6A4KDM4ECYP1A2CYP2D6TSHR
SCHEMBL3987226 0.80 TP53 (0.41) KDM4EMDM2CYP1A2CYP2D6CYP2C9
SCHEMBL4499313 0.77 KDM4E (0.43) CNR2DRD2SLC6A4KDM4EMDM2
SCHEMBL4502829 0.76 DRD2 (0.37) DRD2SLC6A4KDM4EMDM2CYP1A2
SCHEMBL4502893 0.74 POLB (0.41) CNR2DRD2SLC6A4KDM4ECYP2C9
SCHEMBL4514208 0.74 SLC16A3 (0.34) CNR2DRD2SLC6A4KDM4ECYP1A2
SCHEMBL14460123 0.71 CXCR4 (0.40) KDM4ETSHRTP53MEN1ALDH1A1
SCHEMBL8227316 0.71 LMNA (0.47) KDM4ETSHRMEN1USP2ALDH1A1

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 CNR2 370/4885DRD2 506/4885SLC6A4 329/4885

“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.