SCHEMBL13181194

SCHEMBL13181194

CN(C)CCOc1ccc(=O)n(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.49
▸ HRH3 Q9Y5N1 3/20 0.49
▸ LTA4H P09960 2/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ KAT2B Q92831 1/20 0.44
▸ APP P05067 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CCND2 P30279 1/20 0.42
▸ CCND3 P30281 1/20 0.42

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
SCHEMBL13153192 0.80 MAPK14 (0.46) MAPK14HRH3LTA4HKEAP1NFE2L2
SCHEMBL31698269 0.79 HRH3 (0.45) MAPK14HRH3MCHR1ALDH1A1SMN1; SMN2
SCHEMBL19231457 0.74 KDM4E (0.51) MAPK14HRH3LTA4HKEAP1NFE2L2
SCHEMBL13181193 0.73 MAPK14 (0.62) MAPK14HRH3LTA4HKDM4E
SCHEMBL31698248 0.72 BRD4 (0.37) MAPK14HRH3APPKDM4EALDH1A1
SCHEMBL13181192 0.71 GAA (0.56) HRH3LTA4HKDM4EALDH1A1CYP1A2
SCHEMBL21459527 0.70 HRH3 (0.48) HRH3
SCHEMBL1155718 0.70 BRD4 (0.56) KDM4EALDH1A1MAPT
SCHEMBL17233989 0.70 KDM4E (0.43) HRH3APPKDM4EALDH1A1SMN1; SMN2
SCHEMBL13354919 0.70 BRPF1 (0.53) HRH3LTA4HKEAP1NFE2L2MCHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 — — US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 — — 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 (2 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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 MAPK14 2024/4885HRH3 1587/4885LTA4H 522/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MAPK14 2024/4885HRH3 1587/4885LTA4H 522/4885

“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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