SCHEMBL17276325

SCHEMBL17276325

O=C(N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1)n1cc(F)cn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.57
▸ FAAH O00519 2/20 0.57
▸ GPX4 P36969 5/20 0.52
▸ CYP3A4 P08684 1/20 0.49
▸ CYP3A5 P20815 1/20 0.49
▸ ABHD6 Q9BV23 1/20 0.49
▸ CACNA2D1 P54289 4/20 0.47
▸ CACNB1 Q02641 4/20 0.47
▸ CACNA1B Q00975 3/20 0.47
▸ CACNA1C Q13936 3/20 0.47
▸ CACNA1G O43497 1/20 0.47
▸ CACNA1A O00555 1/20 0.46

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
SCHEMBL17276651 0.89 GPX4 (0.56) MGLLFAAHGPX4CYP3A4CYP3A5
SCHEMBL17276416 0.86 MGLL (0.53) MGLLFAAHGPX4CYP3A4CYP3A5
SCHEMBL17276706 0.85 GPX4 (0.52) MGLLFAAHGPX4CYP3A4CYP3A5
SCHEMBL17276788 0.84 GPX4 (0.51) MGLLFAAHGPX4CYP3A4CYP3A5
SCHEMBL17276413 0.82 CACNA2D1 (0.53) MGLLFAAHGPX4CYP3A4CYP3A5
SCHEMBL17276850 0.81 CHRNA7 (0.49) MGLLFAAHGPX4CYP3A4CYP3A5
SCHEMBL17276574 0.81 GPX4 (0.48) MGLLFAAHGPX4CYP3A4CYP3A5
SCHEMBL19078759 0.81 CYP3A4 (0.47) MGLLFAAHGPX4CYP3A4CYP3A5
SCHEMBL17276649 0.81 MAPT (0.49) MGLLFAAHGPX4CYP3A4CYP3A5
SCHEMBL19065750 0.80 MGLL (0.47) MGLLFAAHGPX4CYP3A4CYP3A5

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 7/4885FAAH 2/4885GPX4 753/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 MGLL 7/4885FAAH 2/4885GPX4 753/4885

“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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