SCHEMBL19078773

SCHEMBL19078773

Cc1cnn(C(=O)N2CCN(Cc3ccc(N4CCOCC4)cc3C)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ AKR1C3 P42330 1/20 0.45
▸ FAAH O00519 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
SCHEMBL17276820 0.91 GAA (0.48) GAAMAPTAKR1C3FAAH
SCHEMBL19078771 0.87 AKR1C3 (0.52) AKR1C3
SCHEMBL20557099 0.86 — —
SCHEMBL19078798 0.84 SMN1; SMN2 (0.46) —
SCHEMBL19078790 0.84 AKR1C3 (0.62) GAAMAPTAKR1C3
SCHEMBL19078805 0.82 AKR1C3 (0.46) AKR1C3FAAH
SCHEMBL19078791 0.81 AKR1C3 (0.54) GAAMAPTAKR1C3
SCHEMBL21802553 0.81 MAPT (0.53) GAAMAPTAKR1C3
SCHEMBL21276334 0.81 FAAH (0.47) FAAH
SCHEMBL19078775 0.80 AKR1C3 (0.56) AKR1C3

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 GAA 2974/4885MAPT 4504/4885AKR1C3 1992/4885

“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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