SCHEMBL19078795

SCHEMBL19078795

Cc1cnn(C(=O)N2CCN(c3ccc(N4CCCC4)cc3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ FAAH O00519 1/20 0.46
▸ MGLL Q99685 1/20 0.46

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
SCHEMBL19078784 0.93 AKR1C3 (0.58) AKR1C3ALDH1A1LMNAHPGDHTT
SCHEMBL19078794 0.90 ALDH1A1 (0.46) ALDH1A1MAPTGFERFAAHMGLL
SCHEMBL19078790 0.89 AKR1C3 (0.62) AKR1C3LMNAMAPT
SCHEMBL19078787 0.89 AKR1C3 (0.56) AKR1C3ALDH1A1LMNAHPGDHTT
SCHEMBL19078767 0.89 FAAH (0.59) AKR1C3ALDH1A1FAAHMGLL
SCHEMBL19078774 0.88 — —
SCHEMBL19078789 0.87 AKR1C3 (0.46) AKR1C3ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL19078793 0.86 LMNA (0.48) AKR1C3ALDH1A1LMNAMAPT
SCHEMBL19078756 0.85 NOS1 (0.46) ALDH1A1HPGD
SCHEMBL19078768 0.84 NOS1 (0.44) ALDH1A1HPGD

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 AKR1C3 1992/4885ALDH1A1 1322/4885LMNA 4598/4885

“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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