SCHEMBL2285282

SCHEMBL2285282

O=C(O)Cc1ccc(N2CCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.64
ITGA2B P08514 4/20 0.64
POLB P06746 2/20 0.55
NSD2 O96028 1/20 0.55
GRK2 P25098 1/20 0.55
CASP6 P55212 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
NR4A1 P22736 1/20 0.54
KLKB1 P03952 1/20 0.53
CTSB P07858 1/20 0.53
QPCT Q16769 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CNR2 P34972 2/20 0.50
CA2 P00918 1/20 0.50
CAMK2A Q9UQM7 1/20 0.50

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
SCHEMBL1065084 0.96 ITGB3 (0.64) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL2282564 0.94 ITGB3 (0.62) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL13855699 0.94 ITGB3 (0.62) ITGB3ITGA2BPOLBNSD2GRK2
Hydrochloric Acid SCHEMBL9679970 0.93 ITGB3 (0.60) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL2649726 0.85 ITGB3 (0.60) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL24059106 0.84 ITGB3 (0.58) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL4541029 0.84 ITGB3 (0.59) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL6074717 0.84 ITGB3 (0.59) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL10900400 0.84 GFER (0.66) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL2371447 0.84 ITGB3 (0.63) ITGB3ITGA2BPOLBNSD2GRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN disclosed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US disclosed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 US disclosed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 EP disclosed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 US disclosed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 WO disclosed
EP-2119476-B1 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC (US) 2014-03-19 EP disclosed
US-7994223-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2011-08-09 US disclosed
CN-102056898-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-05-11 CN disclosed
US-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-11 US disclosed
US-7786171-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2010-08-31 US disclosed
WO-2009145996-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-03 WO disclosed
EP-2119476-A2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2009-11-18 EP disclosed
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-08 US 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 (4 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-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 ITGB3 2825/4885ITGA2B 2513/4885POLB 4086/4885
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G ITGB3 2120/4885ITGA2B 2736/4885POLB 4051/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G ITGB3 2120/4885ITGA2B 2736/4885POLB 4051/4885
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 ITGB3 2825/4885ITGA2B 2513/4885POLB 4086/4885

“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.