SCHEMBL17276580

SCHEMBL17276580

CC(C)(C)OC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.64
ABHD6 Q9BV23 1/20 0.64
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CYP3A4 P08684 2/20 0.58
CYP3A5 P20815 2/20 0.58
GPX4 P36969 6/20 0.58
STS P08842 1/20 0.55
CACNA2D1 P54289 3/20 0.52
CACNA1B Q00975 3/20 0.52
CACNB1 Q02641 3/20 0.52
CACNA1C Q13936 3/20 0.52
CACNA1G O43497 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL5688541 0.95 CACNA2D1 (0.60) MGLLABHD6MEN1KMT2ACYP3A4
SCHEMBL14051945 0.87 GPX4 (0.54) MGLLABHD6MEN1KMT2ACYP3A4
SCHEMBL15101001 0.86 CNR1 (0.49) MGLLABHD6MEN1KMT2ACYP3A4
SCHEMBL31023808 0.86 MGLL (0.55) MGLLABHD6MEN1KMT2ACYP3A4
SCHEMBL4013471 0.86 KMT2A (0.67) MGLLMEN1KMT2ACYP3A4CACNA2D1
SCHEMBL12371643 0.85 MEN1 (0.56) MGLLABHD6MEN1KMT2ACYP3A4
SCHEMBL31023690 0.85 ALDH1A1 (0.58) MGLLABHD6MEN1KMT2ACYP3A4
SCHEMBL19327134 0.84 CYP3A4 (0.53) MGLLABHD6MEN1KMT2ACYP3A4
SCHEMBL25083480 0.83 MEN1 (0.54) MGLLABHD6MEN1KMT2ACYP3A4
SCHEMBL14593305 0.83 MEN1 (0.54) MGLLABHD6MEN1KMT2ACYP3A4

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-10093630-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 US disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 WO disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 MGLL 7/4885ABHD6 1/4885MEN1 3710/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 MGLL 7/4885ABHD6 1/4885MEN1 3710/4885

“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.