SCHEMBL20205224

SCHEMBL20205224

CC1CCN(CCNC(=O)c2nc[nH]c2C(N)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.50
▸ CYP2D6 P10635 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL17143228 0.77 KMT2A (0.53) POLBMEN1KMT2A
SCHEMBL17148160 0.76 NPSR1 (0.46) CYP2D6L3MBTL1POLBCYP1A2ALDH1A1
SCHEMBL20205265 0.76 GAA (0.36) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL17142666 0.75 PLD2 (0.45) L3MBTL1ALDH1A1
SCHEMBL17148277 0.75 KMT2A (0.44) L3MBTL1TDP1POLBMEN1KMT2A
SCHEMBL17142895 0.73 KMT2A (0.46) HTTL3MBTL1POLBMEN1KMT2A
SCHEMBL18216319 0.72 CHRM4 (0.39) L3MBTL1POLB
SCHEMBL18216447 0.72 CYP2D6 (0.40) HTTCYP2D6L3MBTL1TDP1POLB
SCHEMBL17143115 0.68 SMN1; SMN2 (0.54) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL17888294 0.68 NPSR1 (0.72) HTTCYP2D6POLBCYP1A2ALDH1A1

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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — 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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S HTT 1235/4885CYP2D6 278/4885L3MBTL1 2341/4885

“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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