SCHEMBL13432159

SCHEMBL13432159

Cc1ccc2c(cnn2C2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CYP11B2 P19099 2/20 0.43
CYP11B1 P15538 1/20 0.43
KDM1A O60341 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
SCD O00767 1/20 0.40
TNKS O95271 2/20 0.40
SLC22A12 Q96S37 1/20 0.40
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
SYK P43405 1/20 0.38

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
SCHEMBL24282841 0.92 POLB (0.48) POLBCHRM2CHRM1CYP11B2CYP11B1
SCHEMBL15325873 0.91 KDM1A (0.52) POLBCYP11B2CYP11B1KDM1AGPR119
Hydrochloric Acid SCHEMBL15655447 0.89 KDM1A (0.51) POLBCYP11B2CYP11B1KDM1AGPR119
SCHEMBL15345104 0.89 PDE1A (0.51) POLBPDE1APDE1BPDE1C
SCHEMBL24282885 0.87 POLB (0.42) POLBCHRM2CHRM1CYP11B2CYP11B1
SCHEMBL13432160 0.86 KMO (0.43) POLBCHRM2CHRM1CYP11B2KDM1A
SCHEMBL15339575 0.85 POLB (0.43) POLBCHRM2CHRM1CYP11B2CYP11B1
SCHEMBL29769207 0.85 POLB (0.43) POLBCHRM2CHRM1CYP11B2CYP11B1
SCHEMBL15345149 0.81 GPR119 (0.44) KDM1AGPR119SCDSYK
SCHEMBL17678157 0.80 KMO (0.41) POLBCHRM2CHRM1CYP11B2KDM1A

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
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 POLB 4178/4885CHRM2 473/4885CHRM1 551/4885

“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.