SCHEMBL15656372

SCHEMBL15656372

COC(=O)[C@H]1CCN(CCCn2cccc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.35
KCNH2 Q12809 1/20 0.35
HTR4 Q13639 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 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
SCHEMBL15655931 0.83 PTPN1 (0.34) KMT2AALDH1A1HPGDRAB9ANPC1
SCHEMBL5048047 0.80 FKBP1A (0.40) FKBP1AMEN1KMT2AALDH1A1MAPT
SCHEMBL27425673 0.79 FKBP1A (0.52) FKBP1AMEN1KMT2AALDH1A1MAPT
SCHEMBL19691863 0.74 HRH3 (0.49) MEN1KMT2AALDH1A1HPGD
SCHEMBL1684695 0.74 BRD4 (0.56) MEN1KMT2AALDH1A1HPGDBRD4
SCHEMBL17596363 0.71 HDAC3 (0.36) FKBP1AMEN1KMT2AALDH1A1MAPT
SCHEMBL3105740 0.70 BRD4 (0.44) FKBP1ABRD4SLC6A2SLC6A4SLC6A3
SCHEMBL31669666 0.69 MMP1 (0.46) FKBP1AALDH1A1CYP1A2HIF1A
SCHEMBL10377823 0.68 KMT2A (0.51) FKBP1AKMT2AALDH1A1HPGDRAB9A
SCHEMBL19559460 0.67 MAPT (0.44) MEN1KMT2AALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-01 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-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 FKBP1A 2518/4885KCNH2 99/4885HTR4 2976/4885

“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.