SCHEMBL1749787

SCHEMBL1749787

CCOC(=O)C1CCC(Oc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CCR8 P51685 1/20 0.52
KDM4E B2RXH2 3/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 1/20 0.50
LTA4H P09960 1/20 0.48

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
SCHEMBL30929539 1.00 ALDH1A1 (0.54) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL12964792 0.88 TSHR (0.48) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL241349 0.87 POLB (0.57) ALDH1A1TSHRKMT2APKMPOLB
SCHEMBL664676 0.87 POLB (0.57) ALDH1A1TSHRKMT2APKMPOLB
SCHEMBL10147939 0.87 POLB (0.57) ALDH1A1TSHRKMT2APKMPOLB
SCHEMBL3040544 0.87 MAPT (0.63) ALDH1A1TSHRNPC1RAB9ACCR8
SCHEMBL3412798 0.86 POLB (0.53) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL3542997 0.86 POLB (0.53) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL3412804 0.86 POLB (0.53) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5523536 0.85 MEN1 (0.59) ALDH1A1TSHRRAB9AMEN1KMT2A

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-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 ALDH1A1 286/4885TSHR 3707/4885NPC1 1504/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 ALDH1A1 374/4885TSHR 3597/4885NPC1 1718/4885

“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.