SCHEMBL19078759

SCHEMBL19078759

Cc1ccc(-c2cnn(C(=O)N3CCN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)CC3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.47
▸ CYP3A5 P20815 1/20 0.47
▸ GPX4 P36969 6/20 0.47
▸ FAAH O00519 2/20 0.44
▸ MGLL Q99685 2/20 0.44
▸ CACNA2D1 P54289 2/20 0.43
▸ CACNA1B Q00975 2/20 0.43
▸ CACNB1 Q02641 2/20 0.43
▸ CACNA1C Q13936 2/20 0.43
▸ CACNA1G O43497 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
SCHEMBL17281592 0.95 CACNA2D1 (0.48) CYP3A4CYP3A5GPX4FAAHMGLL
SCHEMBL17276413 0.89 CACNA2D1 (0.53) CYP3A4CYP3A5GPX4FAAHMGLL
SCHEMBL17276706 0.88 GPX4 (0.52) CYP3A4CYP3A5GPX4FAAHMGLL
SCHEMBL17276515 0.86 MGLL (0.47) CYP3A4CYP3A5GPX4FAAHMGLL
SCHEMBL19065750 0.86 MGLL (0.47) CYP3A4CYP3A5GPX4FAAHMGLL
SCHEMBL17276367 0.84 CNR1 (0.48) CYP3A4CYP3A5GPX4FAAHMGLL
SCHEMBL17276651 0.84 GPX4 (0.56) CYP3A4CYP3A5GPX4FAAHMGLL
SCHEMBL17276788 0.82 GPX4 (0.51) CYP3A4CYP3A5GPX4FAAHMGLL
SCHEMBL17276325 0.81 MGLL (0.57) CYP3A4CYP3A5GPX4FAAHMGLL
SCHEMBL17276574 0.79 GPX4 (0.48) CYP3A4CYP3A5GPX4FAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — 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 (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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 CYP3A4 976/4885CYP3A5 728/4885GPX4 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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