SCHEMBL19078735

SCHEMBL19078735

Cc1cccc(CN2CCCN(C(=O)n3cc(C#N)cn3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ HTT P42858 1/20 0.49

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
SCHEMBL19078734 0.96 ALDH1A1 (0.53) ALDH1A1HTT
SCHEMBL19078736 0.88 L3MBTL1 (0.48) —
SCHEMBL19078737 0.88 ALDH1A1 (0.55) ALDH1A1HTT
SCHEMBL17276886 0.88 — —
SCHEMBL17276542 0.85 FAAH (0.61) ALDH1A1
SCHEMBL17281619 0.84 FAAH (0.47) —
SCHEMBL17276392 0.84 FAAH (0.52) —
SCHEMBL19078731 0.83 ALDH1A1 (0.59) ALDH1A1HTT
SCHEMBL17276708 0.83 — —
SCHEMBL17276823 0.81 FAAH (0.65) ALDH1A1

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 3834/4885

“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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