SCHEMBL7127697

SCHEMBL7127697

Cc1nc2ccccc2c(O)c1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.50
ERN1 O75460 1/20 0.50
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
NUDT1 P36639 1/20 0.46
PDE10A Q9Y233 1/20 0.45
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
STAT3 P40763 1/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL23682827 0.86 ERN1 (0.54) GPR3ERN1ALDH1A1HSD17B10HPGD
SCHEMBL25544333 0.79 ALB (0.45) ALDH1A1CYP1A2KDM4EMAPTMEN1
SCHEMBL7125134 0.79 MAOA (0.53) GPR3ERN1ALDH1A1HSD17B10HPGD
SCHEMBL10015630 0.78 GPR3 (0.53) GPR3ERN1ALDH1A1HSD17B10HPGD
SCHEMBL2126320 0.77 PDE10A (0.59) GPR3ERN1ALDH1A1HSD17B10HPGD
SCHEMBL13451644 0.75 PDE10A (0.41) GPR3ERN1ALDH1A1HSD17B10HPGD
SCHEMBL23896011 0.74 MPO (0.47) ALDH1A1HSD17B10HPGDCYP1A2GAA
SCHEMBL1102408 0.74 KDM4E (0.50) GPR3ALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL12877170 0.74 GPR3 (0.53) GPR3ERN1ALDH1A1HSD17B10HPGD
SCHEMBL12989093 0.74 GPR3 (0.53) GPR3ERN1ALDH1A1HSD17B10HPGD

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-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ORION CORPORATION 2003-12-04 US disclosed
US-6593324-B2 P-aminoanilino- derivatives ORION CORPORATION (FI) 2003-07-15 US disclosed
EP-1263733-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION FARMOS (FI) 2002-12-11 EP disclosed
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists OY JUVANTIA PHARMA LTD. (FI) 2001-11-29 US disclosed
WO-2001064645-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION (FI) 2001-09-07 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 (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-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 GPR3 421/4885ERN1 1923/4885ALDH1A1 467/4885
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 GPR3 421/4885ERN1 1923/4885ALDH1A1 467/4885

“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.