SCHEMBL2672075

SCHEMBL2672075

COCCN1CCC(NNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.47
KDM1A O60341 1/20 0.41
CTSK P43235 2/20 0.39
CCR5 P51681 1/20 0.38
GAA P10253 1/20 0.38
HTR4 Q13639 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
HSD11B1 P28845 1/20 0.36
ACKR3 P25106 1/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
BTK Q06187 1/20 0.36
DRD2 P14416 3/20 0.36
POLB P06746 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL3115202 0.86 KCNA3 (0.55) KCNA3CTSKCCR5HTR4HSD11B1
SCHEMBL27739847 0.83 KCNA3 (0.46) KCNA3CTSKGAABTK
SCHEMBL18851507 0.82 EPHX1 (0.47) KCNA3DRD2
SCHEMBL18609563 0.82 KCNA3 (0.51) KCNA3CTSKCCR5GAAHSD11B1
SCHEMBL31350969 0.81 CTSK (0.54) KCNA3CTSKCCR5HSD11B1HRH2
SCHEMBL27345499 0.81 CTSK (0.54) KCNA3CTSKCCR5HSD11B1HRH2
SCHEMBL4760794 0.81 CTSK (0.54) KCNA3CTSKCCR5HSD11B1HRH2
SCHEMBL12539827 0.81 CTSK (0.46) KCNA3CTSKGAAHSD11B1BTK
SCHEMBL22544222 0.78 CACNA1I (0.52) KCNH2CACNA1IDRD2
SCHEMBL1785331 0.78 KCNA3 (0.45) KCNA3CTSKGAAHSD11B1BTK

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-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
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R KCNA3 3709/4885KDM1A 1757/4885CTSK 3429/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R KCNA3 3709/4885KDM1A 1757/4885CTSK 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.