SCHEMBL13698798

SCHEMBL13698798

COC(=O)c1ccccc1N1CCC(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
HPGD P15428 4/20 0.59
KDM4E B2RXH2 3/20 0.59
MAPT P10636 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
GAA P10253 3/20 0.55
USP2 O75604 1/20 0.55
MYC P01106 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 3/20 0.47
ATM Q13315 1/20 0.46
NR4A1 P22736 1/20 0.46

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
SCHEMBL6828910 0.91 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL23708768 0.84 NPC1 (0.60) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL10309753 0.84 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL15630869 0.83 GAA (0.53) ALDH1A1HPGDKDM4EMAPTRAB9A
SCHEMBL6650052 0.83 KMT2A (0.60) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL8258317 0.83 KMT2A (0.56) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL28562172 0.82 MYC (0.50) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL28989190 0.82 NPC1 (0.48) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL6826072 0.82 ALDH1A1 (0.52) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL5742226 0.81 MYC (0.55) ALDH1A1KDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS MEINGASSNER JOSEF GOTTFRIED 2009-09-10 US disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 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 (2 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-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin STS, ARSA, CYP17A1 ALDH1A1 676/4885HPGD 2058/4885KDM4E 3548/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO ALDH1A1 560/4885HPGD 301/4885KDM4E 3346/4885

“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.