SCHEMBL5774331

SCHEMBL5774331

COc1cc(Br)c2cc3n(c2c1)CCC3=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.35
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
EGFR P00533 4/20 0.34
CYP1A1 P04798 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP1B1 Q16678 3/20 0.34
PDE5A O76074 5/20 0.34
ALDH1A1 P00352 2/20 0.33
TNFRSF1A P19438 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
XDH P47989 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL9261555 0.75 HTR2A (0.49) PDE5AALDH1A1TNFRSF1AKDM4EMAPK1
SCHEMBL13629383 0.74 PABPC1 (0.36) CDK5CDK5R1CYP1A1CYP1A2CYP1B1
SCHEMBL9258757 0.71 TNFRSF1A (0.43) CYP1A1CYP1A2CYP1B1ALDH1A1TNFRSF1A
SCHEMBL2018382 0.70 ALDH1A1 (0.41) CYP1A1CYP1A2CYP1B1ALDH1A1KDM4E
SCHEMBL26547632 0.68 CYP19A1 (0.43) EGFRALDH1A1KDM4E
SCHEMBL6969812 0.67 APP (0.34) CDK5CDK5R1EGFRALDH1A1KDM4E
SCHEMBL9279188 0.65 ALOX5 (0.37) CYP1A2ALDH1A1KDM4EHSD17B10
SCHEMBL5775625 0.64 S1PR1 (0.47)
SCHEMBL5779059 0.64 GRM2 (0.33) GRM2CDK5CDK5R1KDM4E
SCHEMBL6982697 0.64 TUBB4A (0.42) CYP1A1CYP1A2CYP1B1ALDH1A1KDM4E

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.