SCHEMBL1785331

SCHEMBL1785331

C#CCN1CCC(NNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.45
BCHE P06276 6/20 0.44
CTSK P43235 2/20 0.42
MAOB P27338 5/20 0.42
BTK Q06187 1/20 0.39
GAA P10253 1/20 0.38
EPHX1 P07099 1/20 0.37
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL26813658 0.86 CTSK (0.53) KCNA3BCHECTSKMAOBBTK
SCHEMBL27739847 0.83 KCNA3 (0.46) KCNA3CTSKBTKGAAEPHX1
SCHEMBL13208 0.79 EPHX1 (0.58) CTSKEPHX1CYP2C9HSD11B1ALDH1A1
SCHEMBL2672075 0.78 KCNA3 (0.47) KCNA3CTSKBTKGAAHSD11B1
SCHEMBL12539827 0.78 CTSK (0.46) KCNA3CTSKBTKGAAEPHX1
SCHEMBL27718822 0.78 KCNA3 (0.44) KCNA3CTSKBTKGAACYP2C9
SCHEMBL2074992 0.77 GAA (0.51) CTSKMAOBBTKGAAEPHX1
SCHEMBL12539828 0.77 CTSK (0.44) KCNA3CTSKMAOBBTKGAA
SCHEMBL26108769 0.77 HRH3 (0.48) BCHEMAOBMEN1ALDH1A1TSHR
SCHEMBL12276428 0.77 EPHX1 (0.46) KCNA3CTSKBTKGAAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
CN-102015728-A Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INT 2011-04-13 CN 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R KCNA3 3709/4885BCHE 4406/4885CTSK 3429/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R KCNA3 3709/4885BCHE 4406/4885CTSK 3429/4885

“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.