SCHEMBL10154872

SCHEMBL10154872

CCOC(=O)Cn1c2c(c3cc(C)ccc31)CNCCC2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.61
LMNA P02545 3/20 0.52
KDM4E B2RXH2 3/20 0.52
SIRT2 Q8IXJ6 2/20 0.45
ALDH1A1 P00352 1/20 0.44
SIRT1 Q96EB6 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL14067842 0.94 HSD17B10 (0.57) HSD17B10LMNAKDM4ESIRT2ALDH1A1
SCHEMBL14216298 0.90 HSD17B10 (0.51) HSD17B10LMNAKDM4ESIRT2SIRT1
SCHEMBL13862123 0.87 HSD17B10 (0.57) HSD17B10KDM4ESIRT2SIRT1PTGDR2
SCHEMBL14067971 0.83 SIRT2 (0.54) HSD17B10KDM4ESIRT2SIRT1PTGDR2
SCHEMBL14067843 0.83 CYP3A4 (0.52) HSD17B10LMNAKDM4ESIRT2ALDH1A1
SCHEMBL10127932 0.81 HSD17B10 (0.61) HSD17B10LMNAKDM4EPTGDR2AKR1B10
SCHEMBL14067849 0.81 PTGDR2 (0.45) HSD17B10LMNAKDM4ESIRT2ALDH1A1
SCHEMBL14067845 0.80 KDM4E (0.61) HSD17B10LMNAKDM4EALDH1A1TSHR
Hydrochloric Acid SCHEMBL3084827 0.79 PTGDR2 (0.56) HSD17B10KDM4ESIRT2SIRT1PTGDR2
SCHEMBL3318900 0.78 HTR6 (0.60) HSD17B10PTGDR2AKR1B10AKR1B1

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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 US disclosed
EP-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 EP disclosed
WO-2008060190-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-05-22 WO disclosed
WO-2008024029-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-02-28 WO 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC HSD17B10 1008/4885LMNA 2065/4885KDM4E 2849/4885

“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.