SCHEMBL6300071

SCHEMBL6300071

C[C@](Oc1ccc2c(c1-c1ccc3ccccc3c1)CCCC2=O)(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.32
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BRD4 O60885 5/20 0.31
SGK1 O00141 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
SCHEMBL6301962 0.87 CDK2 (0.33) MAPKAPK2GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL6299627 0.87 BRD4 (0.39) ALDH1A1MAPTNPSR1BRD4
SCHEMBL6307281 0.85 GABRG2 (0.32) GABRG2GABRB3GABRA5BRD4
SCHEMBL6307252 0.85 GABRG2 (0.31) GABRG2GABRB3GABRA5BRD4
SCHEMBL6957144 0.84 MAOA (0.37) BRD4
SCHEMBL6301031 0.84 KDM4E (0.33) GABRG2GABRB3GABRA5ALDH1A1MAPT
SCHEMBL6301321 0.82 LTB4R (0.32) GABRG2GABRB3GABRA5BRD4
SCHEMBL6300176 0.81 BRD4 (0.36) ALDH1A1BRD4
SCHEMBL6307052 0.80 BRD4 (0.37) BRD4
SCHEMBL6700648 0.80 LTB4R (0.36) GABRG2GABRB3GABRA5BRD4

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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US claimed
US-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 MAPKAPK2 1060/4885GABRG2 4570/4885GABRB3 4124/4885

“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.