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SCHEMBL735296

SCHEMBL735296

COC(=O)[C@H](CCN1C[C@@H](C)C[C@H](O)C1)N1CCN(c2cccc(C(F)(F)F)c2)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ HTR7 P34969 4/20 0.44
▸ HTR2A P28223 3/20 0.44
▸ HTR2C P28335 2/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ USP2 O75604 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL735297 1.00 LMNA (0.46) LMNASMN1; SMN2HSD17B10HTR7HTR2A
SCHEMBL736295 0.90 HTR7 (0.42) LMNASMN1; SMN2HTR7HTR2AHTR2C
SCHEMBL736296 0.90 HTR7 (0.42) LMNASMN1; SMN2HTR7HTR2AHTR2C
SCHEMBL736780 0.87 HTR7 (0.43) LMNASMN1; SMN2HTR7HTR2AHTR2C
SCHEMBL733505 0.84 HSD17B10 (0.44) LMNASMN1; SMN2HSD17B10HTR7HTR2A
SCHEMBL733496 0.84 HSD17B10 (0.44) LMNASMN1; SMN2HSD17B10HTR7HTR2A
SCHEMBL733498 0.84 HSD17B10 (0.44) LMNASMN1; SMN2HSD17B10HTR7HTR2A
SCHEMBL733497 0.84 HSD17B10 (0.44) LMNASMN1; SMN2HSD17B10HTR7HTR2A
SCHEMBL735608 0.84 POLB (0.53) LMNASMN1; SMN2HSD17B10POLBALDH1A1
SCHEMBL736396 0.84 POLB (0.53) LMNASMN1; SMN2HSD17B10POLBALDH1A1

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 9 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
US-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 — — US disclosed
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
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
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 — — US 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 3760/4885SMN1; SMN2 4455/4885HSD17B10 3092/4885

“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.