SCHEMBL560821

SCHEMBL560821

OCc1ccccc1OCC1CCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.55
▸ HTR2C P28335 3/20 0.48
▸ MCHR1 Q99705 3/20 0.46
▸ EPHX1 P07099 1/20 0.46
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ FAAH O00519 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ PARP15 Q460N3 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41

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
SCHEMBL5781772 0.95 RIPK1 (0.54) RIPK1HTR2CMCHR1EPHX1MEN1
SCHEMBL560790 0.93 RIPK1 (0.63) RIPK1HTR2CEPHX1THRATHRB
SCHEMBL29659961 0.85 RIPK1 (0.51) RIPK1HTR2CMCHR1EPHX1MEN1
SCHEMBL29786364 0.83 RIPK1 (0.55) RIPK1HTR2CMCHR1THRATHRB
SCHEMBL20472419 0.83 RIPK1 (0.55) RIPK1HTR2CMCHR1THRATHRB
SCHEMBL560819 0.83 RIPK1 (0.55) RIPK1HTR2CMCHR1THRATHRB
SCHEMBL4429009 0.80 MCHR1 (0.52) RIPK1MCHR1EPHX1PARP15PARP10
SCHEMBL29786424 0.79 RIPK1 (0.55) RIPK1HTR2CMCHR1SLC6A2SLC6A4
SCHEMBL20472415 0.79 RIPK1 (0.55) RIPK1HTR2CMCHR1SLC6A2SLC6A4
SCHEMBL22391548 0.79 RIPK1 (0.88) RIPK1HTR2CMCHR1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 — — US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 — — US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 — — US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 — — US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 — — US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 — — US disclosed
EP-2421834-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 — — EP disclosed
EP-2421835-A1 N-PYRAZOLYL 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-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 — — WO disclosed
WO-2010122089-A1 N-PYRAZOLYL 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
WO-2010122088-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 — — WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 — — US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 — — US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 — — 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 (3 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E RIPK1 637/4885HTR2C 1256/4885MCHR1 3433/4885
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS RYR2, PAICS, CTRC RIPK1 2083/4885HTR2C 1035/4885MCHR1 4330/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 RIPK1 3438/4885HTR2C 2340/4885MCHR1 4037/4885

“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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