SCHEMBL12202091

SCHEMBL12202091

CC1=C2c3ccccc3C(=O)N2CCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
PKM P14618 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
CES1 P23141 2/20 0.41
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
APAF1 O14727 1/20 0.35
CASP3 P42574 1/20 0.35
BRD4 O60885 1/20 0.35
BRDT Q58F21 1/20 0.35

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
SCHEMBL12202106 0.89 NPC1 (0.47) NPC1RAB9APKMSMN1; SMN2TSHR
SCHEMBL12228324 0.79 TSHR (0.39) NPC1RAB9APKMSMN1; SMN2TSHR
SCHEMBL24429208 0.77 NPC1 (0.48) NPC1RAB9APKMPOLBMAPT
SCHEMBL12202097 0.77 LMNA (0.41) NPC1RAB9APKMSMN1; SMN2TSHR
SCHEMBL2516651 0.76 POLB (0.44) NPC1RAB9ASMN1; SMN2TSHRCES1
SCHEMBL1115837 0.75 SMN1; SMN2 (0.37) NPC1RAB9APKMSMN1; SMN2TSHR
SCHEMBL12202083 0.74 CASP3 (0.45) ALDH1A1CASP3
SCHEMBL1603648 0.74 CES1 (0.46) NPC1RAB9APKMSMN1; SMN2TSHR
SCHEMBL2511903 0.74 CASP3 (0.42) SMN1; SMN2POLBALDH1A1HTTCASP3
SCHEMBL12227957 0.73 TSHR (0.38) NPC1RAB9APKMSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034939-B2 1-{3-H-imidazo[4,5-c]pyridin-2-yl}-3,4-dihydro-2H-pyrido[2,1-a] isoindole-6-one; anticarcinogenic agent: solid tumor and leukemia; neurodegenerative diseases: Alzheimer's and Huntington's diseases AVENTIS PHARMA S.A.. (FR) 2011-10-11 US disclosed
US-8034939-B2 1-{3-H-imidazo[4,5-c]pyridin-2-yl}-3,4-dihydro-2H-pyrido[2,1-a] isoindole-6-one; anticarcinogenic agent: solid tumor and leukemia; neurodegenerative diseases: Alzheimer's and Huntington's diseases AVENTIS PHARMA S.A.. (FR) 2011-10-11 US disclosed
EP-1869042-B1 NOVEL ISOINDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, PREPARATION THEREOF AND PHARMACEUTICAL USES THEREOF IN PARTICULAR AS INHIBITORS OF CHAPERONE PROTEIN HSP90 ACTIVITIES AVENTIS PHARMA SA (FR) 2011-02-02 EP disclosed
US-20080119507-A1 Novel Isoindole Derivatives, Compositions Containing Same, Preparation Thereof and Pharmaceutical Uses Thereof in Particular as Inhibitors of Chaperone Protein HSP90 Activities AVENTIS PHARMA S.A. (FR) 2008-05-22 US disclosed
US-20080119507-A1 Novel Isoindole Derivatives, Compositions Containing Same, Preparation Thereof and Pharmaceutical Uses Thereof in Particular as Inhibitors of Chaperone Protein HSP90 Activities AVENTIS PHARMA S.A. (FR) 2008-05-22 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-20080119507-A1 Novel Isoindole Derivatives, Compositions Containing Same, Preparation Thereof and Pharmaceutical Uses Thereof in Particular as Inhibitors of Chaperone Protein HSP90 Activities HSP90B1, HSP90AB2P, HSP90AB1 NPC1 1045/4885RAB9A 2175/4885PKM 2213/4885

“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.