SCHEMBL4502829

SCHEMBL4502829

CCC(C(=O)O)n1c(C)c(-c2ccc(Cl)cc2)n(C2CC2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.37
DRD4 P21917 4/20 0.37
DRD3 P35462 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC6A4 P31645 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MDM2 Q00987 5/20 0.35
TP53 P04637 4/20 0.35
NR1H4 Q96RI1 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTPN1 P18031 1/20 0.34
NOTUM Q6P988 1/20 0.34
LMNA P02545 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4499313 0.78 KDM4E (0.43) DRD2MEN1KMT2ASLC6A4KDM4E
SCHEMBL8233148 0.76 CTSS (0.41) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL4499190 0.76 CNR2 (0.36) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8233073 0.73 LMNA (0.54) KDM4ETP53TSHRLMNAUSP2
SCHEMBL4514211 0.70 MDM2 (0.43) DRD2SLC6A4MDM2TP53PTPN1
SCHEMBL14460116 0.66 TP53 (0.48) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL4498779 0.66 KDM4E (0.38) KMT2AKDM4EMDM2CYP1A2LMNA
SCHEMBL4503417 0.64 MAP3K5 (0.36) SLC6A4KDM4ECYP1A2CYP2D6TSHR
SCHEMBL4491602 0.64 KDM4E (0.36) DRD2DRD4DRD3KDM4E
SCHEMBL417179 0.64 AVPR2 (0.46) DRD2DRD4DRD3KMT2ATSHR

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 DRD2 506/4885DRD4 949/4885DRD3 464/4885

“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.