SCHEMBL3250855

SCHEMBL3250855

[CH2]Cc1ccc(C(C)C)c(C(C)C)c1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
ACE2 Q9BYF1 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
SCHEMBL676937 0.81 GABRA1 (0.42) GABRA1GABRG2GABRB3
SCHEMBL7504565 0.80
SCHEMBL9063441 0.80 ACE2 (0.34) GABRA1GABRG2GABRB3ACE2
SCHEMBL22013194 0.80 AOC1 (0.32) GABRA1GABRG2GABRB3ACE2
SCHEMBL11554595 0.78 SMN1; SMN2 (0.31) GABRA1GABRG2GABRB3ACE2
SCHEMBL28186285 0.78 ACE2 (0.44) GABRA1GABRG2GABRB3ACE2
SCHEMBL1292825 0.78 GABRA1 (0.41) GABRA1GABRG2GABRB3
SCHEMBL3249692 0.74 ACE2 (0.31) ACE2
SCHEMBL840511 0.72 ACE2 (0.36) GABRA1GABRG2GABRB3ACE2
SCHEMBL18999985 0.72 GABRA1 (0.34) GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 GABRA1 3569/4885GABRG2 4496/4885GABRB3 3763/4885

“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.