SCHEMBL3246283

SCHEMBL3246283

O=[C]CCCc1cccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.35
RIPK1 Q13546 1/20 0.35
CES2 O00748 4/20 0.34
CES1 P23141 4/20 0.34
BCHE P06276 1/20 0.34
AKR1B1 P15121 1/20 0.34
CXCR2 P25025 2/20 0.33
MPO P05164 6/20 0.33
SLC6A4 P31645 3/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL4846504 0.89 TAAR1 (0.38) TAAR1RIPK1CES2CES1BCHE
SCHEMBL96465 0.85 TAAR1 (0.52) TAAR1MPOSLC6A4
SCHEMBL3237766 0.83 RIPK1 (0.33) RIPK1CES2CES1
SCHEMBL5225999 0.82 CES2 (0.40) TAAR1RIPK1CES2CES1BCHE
SCHEMBL7052559 0.77 TAAR1 (0.48) TAAR1RIPK1CES2CES1BCHE
SCHEMBL9419248 0.75 TYR (0.41) TAAR1RIPK1
SCHEMBL4610914 0.75 CA2 (0.41) TAAR1RIPK1CES2CES1BCHE
SCHEMBL7500694 0.75 TAAR1 (0.39) TAAR1RIPK1CES2CES1BCHE
SCHEMBL4610765 0.75 TAAR1 (0.39) TAAR1RIPK1CES2CES1BCHE
SCHEMBL5610129 0.74 TAAR1 (0.41) TAAR1RIPK1CES2CES1BCHE

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
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

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 TAAR1 436/4885RIPK1 2950/4885CES2 971/4885

“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.