SCHEMBL17276524

SCHEMBL17276524

O=C(c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.51
▸ PHGDH O43175 1/20 0.50
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ GPX4 P36969 5/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ CYP3A5 P20815 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL17276850 0.90 CHRNA7 (0.49) ALDH1A1CNR1CNR2GPX4CYP3A4
SCHEMBL17276574 0.90 GPX4 (0.48) ALDH1A1GPX4CYP3A4CYP3A5MAPT
SCHEMBL17276649 0.89 MAPT (0.49) ALDH1A1CNR1CNR2GPX4CYP3A4
SCHEMBL17276651 0.82 GPX4 (0.56) GPX4CYP3A4CYP3A5FAAHMGLL
SCHEMBL17276325 0.79 MGLL (0.57) GPX4CYP3A4CYP3A5FAAHMGLL
SCHEMBL17276706 0.79 GPX4 (0.52) GPX4CYP3A4CYP3A5FAAHMGLL
SCHEMBL17276673 0.78 GPX4 (0.47) CNR1CNR2GPX4CYP3A4CYP3A5
SCHEMBL19078693 0.78 AKR1C3 (0.45) AKR1C3ALDH1A1PHGDHCNR1CNR2
SCHEMBL17276788 0.78 GPX4 (0.51) GPX4CYP3A4CYP3A5FAAHMGLL
SCHEMBL17276416 0.77 MGLL (0.53) GPX4CYP3A4CYP3A5FAAHMGLL

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 AKR1C3 1992/4885ALDH1A1 1322/4885PHGDH 106/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 AKR1C3 1992/4885ALDH1A1 1322/4885PHGDH 106/4885

“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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