SCHEMBL1877576

SCHEMBL1877576

CC1COc2ccc(Cl)cc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
AHR P35869 2/20 0.42
CA1 P00915 1/20 0.41
AKR1B1 P15121 2/20 0.40
HCRTR2 O43614 1/20 0.40
CYP19A1 P11511 1/20 0.39
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
MAOB P27338 1/20 0.38
MAP3K14 Q99558 1/20 0.38
FFAR1 O14842 7/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL18812630 0.93 CA2 (0.48) CA2AHRCA1AKR1B1HCRTR2
SCHEMBL8344689 0.79 CA2 (0.49) CA2AKR1B1CYP19A1NPC1FFAR1
SCHEMBL1119129 0.79 CA2 (0.49) CA2AHRCA1CYP19A1NPC1
SCHEMBL1119127 0.79 CA2 (0.49) CA2AHRCA1CYP19A1NPC1
SCHEMBL16656033 0.78 PBRM1 (0.50) CA2AHRAKR1B1HCRTR2CYP19A1
SCHEMBL1877574 0.78 CA2 (0.48) CA2AHRCA1CYP19A1NPC1
SCHEMBL19393060 0.78 LTA4H (0.45) CA2AKR1B1HCRTR2CYP19A1DRD2
SCHEMBL30438928 0.78 CHRNB4 (0.52) DRD2DRD4DRD3
SCHEMBL1043069 0.78 LTA4H (0.45) CA2AKR1B1HCRTR2CYP19A1DRD2
SCHEMBL1044542 0.78 PBRM1 (0.50) CA2AHRAKR1B1HCRTR2CYP19A1

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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
WO-2000058301-A1 N-[2-(4-AMINOPHYL)ETHYL]-2,3-DIHYDRO-1,4-BENZODIOXINE-2-METHANAMINE, PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2000-10-05 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 (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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 CA2 3728/4885AHR 2218/4885CA1 4449/4885

“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.