SCHEMBL733498

SCHEMBL733498

COC(=O)C(CCN1CCC2(CC2)C(O)C1)N1CCN(c2cccc(C(F)(F)F)c2)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
HTR7 P34969 4/20 0.41
HTR1A P08908 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR6 P50406 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
DRD3 P35462 1/20 0.40
HPGD P15428 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
SCHEMBL733497 1.00 HSD17B10 (0.44) HSD17B10LMNASMN1; SMN2POLBHTR7
SCHEMBL733505 1.00 HSD17B10 (0.44) HSD17B10LMNASMN1; SMN2POLBHTR7
SCHEMBL733496 1.00 HSD17B10 (0.44) HSD17B10LMNASMN1; SMN2POLBHTR7
SCHEMBL734866 0.95 HTR7 (0.43) HSD17B10LMNASMN1; SMN2POLBHTR7
SCHEMBL734867 0.95 HTR7 (0.43) HSD17B10LMNASMN1; SMN2POLBHTR7
SCHEMBL734865 0.95 HTR7 (0.43) HSD17B10LMNASMN1; SMN2POLBHTR7
SCHEMBL736110 0.91 HTR1A (0.43) SMN1; SMN2POLBHTR7HTR1AALDH1A1
SCHEMBL736109 0.91 HTR1A (0.43) SMN1; SMN2POLBHTR7HTR1AALDH1A1
SCHEMBL734800 0.91 CHRM4 (0.39)
SCHEMBL734801 0.91 CHRM4 (0.39)

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 2 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-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 HSD17B10 3092/4885LMNA 3760/4885SMN1; SMN2 4455/4885

“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.