SCHEMBL2835804

SCHEMBL2835804

NCc1ccc(C2CCC(Br)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.40
HRH3 Q9Y5N1 1/20 0.39
LOXL2 Q9Y4K0 3/20 0.38
ABAT P80404 1/20 0.37
ESR2 Q92731 4/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TEAD1 P28347 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL4582740 0.89 HRH3 (0.48) SPHK1HRH3LOXL2ABATESR2
SCHEMBL11997346 0.81 HRH3 (0.44) SPHK1HRH3LOXL2ABATESR2
SCHEMBL10232991 0.81 HRH3 (0.44) SPHK1HRH3LOXL2ABAT
SCHEMBL2837369 0.80 SPHK1 (0.40) SPHK1HRH3LOXL2ABATESR2
SCHEMBL7508590 0.80 ESR2 (0.59) SPHK1HRH3LOXL2ABATESR2
SCHEMBL7508598 0.80 ESR2 (0.59) SPHK1HRH3LOXL2ABATESR2
SCHEMBL5049395 0.79 F2 (0.44) HRH3LOXL2
SCHEMBL13660206 0.79 F2 (0.44) HRH3LOXL2
SCHEMBL22291710 0.79 F2 (0.44) HRH3LOXL2
Hydrochloric Acid SCHEMBL250061 0.79 HRH3 (0.42) SPHK1HRH3LOXL2ABAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170059-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 US disclosed
EP-2170059-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156717-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 WO 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-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP SPHK1 1285/4885HRH3 2488/4885LOXL2 1929/4885

“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.