SCHEMBL5779059

SCHEMBL5779059

COc1cc(Br)c2cc3n(c2c1)CCC3C(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
S1PR1 P21453 1/20 0.32
SIGMAR1 Q99720 6/20 0.32
MGLL Q99685 1/20 0.31
PKM P14618 1/20 0.31
DRD3 P35462 3/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL5776056 0.87 KDM4E (0.32) KDM4EGAAS1PR1MGLLPKM
SCHEMBL5835468 0.85 TBXA2R (0.35)
SCHEMBL5835082 0.85 KDM4E (0.31) KDM4EGAAMGLL
SCHEMBL5836476 0.84 RHEB (0.31)
SCHEMBL5775625 0.81 S1PR1 (0.47) S1PR1
SCHEMBL5835580 0.79 ACE (0.32)
SCHEMBL5835938 0.75 KDM4E (0.34) KDM4ES1PR1
SCHEMBL5836370 0.74 GLRA1 (0.30)
SCHEMBL5836332 0.73 TBXA2R (0.39)
SCHEMBL5835920 0.73 TBXA2R (0.39)

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-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 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-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR GRM2 1395/4885CDK5 1804/4885CDK5R1 747/4885

“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.