SCHEMBL880221

SCHEMBL880221

c1ccc2oc(NC3=NCN(CCN4CCOCC4)CN3)nc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.77
NPC1 O15118 5/20 0.77
SMN1; SMN2 Q16637 4/20 0.74
TAAR1 Q96RJ0 1/20 0.74
CYP1A2 P05177 1/20 0.72
MAPT P10636 2/20 0.64
HSD17B10 Q99714 2/20 0.64
PKM P14618 1/20 0.64
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MDM4 O15151 1/20 0.49
LMNA P02545 1/20 0.49
AHR P35869 1/20 0.49
MDM2 Q00987 1/20 0.49
LTA4H P09960 1/20 0.43
GALK1 P51570 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRNA7 P36544 1/20 0.43

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
SCHEMBL12162583 0.91 RAB9A (0.77) RAB9ANPC1SMN1; SMN2TAAR1CYP1A2
SCHEMBL880214 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TAAR1CYP1A2
SCHEMBL8217786 0.71 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TAAR1CYP1A2
SCHEMBL30017054 0.68 LMNA (0.94) RAB9AMAPTHSD17B10PKMALDH1A1
SCHEMBL880379 0.67 RAB9A (0.53) RAB9ANPC1SMN1; SMN2TAAR1CYP1A2
SCHEMBL14384779 0.66 ALDH1A1 (0.57) SMN1; SMN2MAPTALDH1A1KDM4ELMNA
SCHEMBL15022003 0.66 RAB9A (0.78) RAB9ANPC1SMN1; SMN2MAPTHSD17B10
SCHEMBL22382380 0.66 CYP2C19 (0.54) SMN1; SMN2CYP1A2ALDH1A1TSHRCYP2D6
SCHEMBL7759444 0.65 DRD3 (0.69) RAB9ANPC1MAPTKDM4ELMNA
SCHEMBL10746799 0.65 ELANE (0.61) RAB9ANPC1SMN1; SMN2CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 US disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT RAB9A 912/4885NPC1 2064/4885SMN1; SMN2 41/4885

“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.