SCHEMBL21287875

SCHEMBL21287875

CCc1cccc(C)c1N1CC[C@H](CC)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ C5AR1 P21730 13/20 0.40
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL23554912 0.82 SLC6A2 (0.38) ALDH1A1SMN1; SMN2TDP1KDM4EMAPT
SCHEMBL23555133 0.79 SLC6A2 (0.50) ALDH1A1TDP1KDM4EMAPTMAPK1
SCHEMBL1688137 0.75 SLC6A2 (0.44) ALDH1A1SMN1; SMN2TDP1KDM4EMAPT
SCHEMBL15160352 0.74 SLC6A2 (0.43) ALDH1A1SMN1; SMN2TDP1KDM4EMAPT
SCHEMBL16882199 0.73 SLC6A2 (0.43) ALDH1A1SMN1; SMN2TDP1KDM4EMAPT
SCHEMBL27307706 0.73 SLC6A2 (0.42) ALDH1A1MAPTMAPK1C5AR1SLC6A2
SCHEMBL19019196 0.72 KMT2A (0.39) TDP1MAPTC5AR1MEN1KMT2A
SCHEMBL16998574 0.72 KMT2A (0.39) TDP1MAPTC5AR1MEN1KMT2A
SCHEMBL18064932 0.71 LMNA (0.51) C5AR1SLC6A2SLC6A4KMT2A
SCHEMBL18064812 0.70 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TDP1KDM4EMAPT

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-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-08-22 — — 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-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, RABL6 ALDH1A1 1812/4885SMN1; SMN2 2914/4885TDP1 2125/4885

“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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