SCHEMBL19078732

SCHEMBL19078732

Cc1cccc(CN2CCN(C(=O)n3cccn3)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ HTT P42858 2/20 0.59
▸ FAAH O00519 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL17276252 0.85 ALDH1A1 (0.54) ALDH1A1FAAHKDM4EKMT2A
SCHEMBL19078731 0.83 ALDH1A1 (0.59) ALDH1A1HTTFAAHKDM4E
SCHEMBL17276626 0.81 FAAH (0.58) FAAHMEN1KMT2A
SCHEMBL17281596 0.81 FAAH (0.54) FAAH
SCHEMBL19065770 0.80 FAAH (0.61) ALDH1A1HTTFAAHKDM4EMEN1
SCHEMBL19078737 0.80 ALDH1A1 (0.55) ALDH1A1HTTFAAHKDM4E
SCHEMBL17276360 0.79 ALDH1A1 (0.54) ALDH1A1HTTFAAHKDM4E
SCHEMBL17281583 0.78 FAAH (0.57) ALDH1A1FAAH
SCHEMBL19078734 0.78 ALDH1A1 (0.53) ALDH1A1HTT
SCHEMBL12660179 0.78 ALDH1A1 (0.72) ALDH1A1HTTFAAHKDM4EMEN1

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 ALDH1A1 1322/4885HTT 3834/4885FAAH 2/4885

“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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