SCHEMBL561124

SCHEMBL561124

BrCc1ccccc1OCC1CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.63
▸ HTR2C P28335 6/20 0.49
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ HTR2A P28223 3/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ MCHR1 Q99705 3/20 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
SCHEMBL560819 0.93 RIPK1 (0.55) RIPK1HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL8549973 0.81 RIPK1 (0.63) RIPK1HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL8252603 0.81 RIPK1 (0.63) RIPK1HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL560790 0.81 RIPK1 (0.63) RIPK1HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL21216577 0.81 RIPK1 (0.62) RIPK1HTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL22470881 0.80 RIPK1 (0.61) RIPK1HTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL30175221 0.80 RIPK1 (0.61) RIPK1HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL25946209 0.79 RIPK1 (0.59) RIPK1HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL3412321 0.79 ALDH1A1 (0.62) RIPK1SLC6A2SLC6A4SLC6A3THRA
SCHEMBL22391510 0.77 RIPK1 (1.00) RIPK1HTR2CSLC6A2SLC6A4SLC6A3

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
EP-2421834-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 — — EP disclosed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 — — US disclosed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 — — US disclosed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 — — US disclosed
WO-2010122088-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 — — WO disclosed
WO-2010122088-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 — — 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-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS RYR2, PAICS, CTRC RIPK1 2083/4885HTR2C 1035/4885SLC6A2 4351/4885

“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.

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