SCHEMBL85712

SCHEMBL85712

COCc1cc2cc(C)ccc2n1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 4/20 0.43
SRD5A2 P31213 1/20 0.42
LMNA P02545 2/20 0.41
ALOX5 P09917 1/20 0.40
MAPT P10636 1/20 0.39
PIK3CA P42336 1/20 0.39
PRKDC P78527 1/20 0.39
GRM5 P41594 1/20 0.39
TDP2 O95551 1/20 0.39
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL75868 0.89 NPC1 (0.49) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL85713 0.88 NPC1 (0.48) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL85618 0.80 MAPT (0.41) MEN1KMT2APKMSMN1; SMN2LMNA
SCHEMBL73957 0.79 NPC1 (0.48) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL75280 0.78 NPC1 (0.46) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL74353 0.77 HRH3 (0.54) L3MBTL1
SCHEMBL85958 0.77 SRD5A2 (0.51) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL5066618 0.74 NPC1 (0.56) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL5070843 0.74 RAB9A (0.56) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL92663 0.72 AHR (0.43) L3MBTL1MEN1KMT2AMAOBCYP1A2

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-8129424-B2 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2012-03-06 US disclosed
US-20110059966-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-03-10 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-20110059966-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS HRH3, HCRTR1, HCRTR2 NPC1 1329/4885RAB9A 2187/4885L3MBTL1 2261/4885

“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.