SCHEMBL734555

SCHEMBL734555

COC[C@H](CCOCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.49
MAPT P10636 7/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL734991 0.90 LMNA (0.47) LMNAMAPTMEN1KMT2ARECQL
SCHEMBL734349 0.85 HSD17B10 (0.47) LMNAMAPTMEN1KMT2ARECQL
SCHEMBL734773 0.85 HSD17B10 (0.47) LMNAMAPTMEN1KMT2ARECQL
SCHEMBL734350 0.85 HSD17B10 (0.47) LMNAMAPTMEN1KMT2ARECQL
SCHEMBL734310 0.85 POLB (0.53) LMNAMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL736300 0.82 POLB (0.48) LMNAMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL736301 0.82 POLB (0.48) LMNAMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL734372 0.77 HTR7 (0.50) POLB
SCHEMBL734611 0.77 MAPT (0.47) LMNAMAPTMEN1KMT2ARECQL
SCHEMBL734612 0.77 MAPT (0.47) LMNAMAPTMEN1KMT2ARECQL

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
US-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2321285-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
WO-2010012619-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 WO disclosed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 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-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 LMNA 3760/4885MAPT 4751/4885MEN1 4064/4885

“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.