SCHEMBL5215951

SCHEMBL5215951

CC(C)C[C@@]1(C(=O)O)C[C@H](c2ccccn2)[C@H](c2nccs2)N1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 3/20 0.34
HHAT Q5VTY9 2/20 0.33
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
CASP1 P29466 1/20 0.32
ADORA2B P29275 2/20 0.32
DRD4 P21917 1/20 0.32
CYP3A4 P08684 2/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
NR3C1 P04150 1/20 0.31
ADORA2A P29274 1/20 0.30
KDM5A P29375 1/20 0.30
HDAC1 Q13547 2/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5214244 0.89 GPR88 (0.31) GPR88DRD4KDM5A
SCHEMBL5218898 0.87 GPR88 (0.32) GPR88KDM5A
SCHEMBL14443094 0.87 ADORA2B (0.31) HHATKDM4EHSD17B10CASP1ADORA2B
SCHEMBL4156095 0.86
SCHEMBL5219945 0.86 ADORA2B (0.35) GPR88KDM4EADORA2BADORA2AMAPT
SCHEMBL5218383 0.85 DRD4 (0.31) DRD4
SCHEMBL5214355 0.84 KDM4E (0.31) KDM4EPOLB
SCHEMBL6368104 0.84 LMNA (0.37) HSD17B10ADORA2BCYP3A4TSHRADORA2A
SCHEMBL5215025 0.84 GPR88 (0.33) GPR88DRD4
SCHEMBL5213508 0.83 CCR2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259163-B2 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as HCV inhibitors GLAXO GROUP LIMITED (GB) 2007-08-21 US disclosed
EP-1440069-B1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LTD (GB) 2007-08-15 EP disclosed
US-20050043390-A1 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors GLAXO GROUP LIMITED (GB) 2005-02-24 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-20050043390-A1 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors NR1H3, NR1H2, NR1I3 GPR88 575/4885HHAT 1241/4885KDM4E 2817/4885

“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.