SCHEMBL12929946

SCHEMBL12929946

CN1CCN(c2ccc(CNC(C)(C)C)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.60
▸ CHKA P35790 2/20 0.51
▸ GAA P10253 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KMT2A Q03164 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ PTK2B Q14289 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.48
▸ POLB P06746 2/20 0.46
▸ GALR3 O60755 1/20 0.46
▸ HTR6 P50406 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44

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
SCHEMBL15432469 0.85 GAA (0.51) NCF1CHKAGAAL3MBTL1KMT2A
SCHEMBL3440204 0.81 NCF1 (0.87) NCF1CHKAGAAL3MBTL1KMT2A
SCHEMBL6528387 0.79 NCF1 (0.64) NCF1CHKAGAAL3MBTL1KMT2A
SCHEMBL18539240 0.79 NCF1 (0.64) NCF1CHKAGAAL3MBTL1KMT2A
SCHEMBL13959053 0.79 DRD4 (0.62) GAAL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL22419324 0.79 POLB (0.43) NCF1GAAL3MBTL1KMT2AALDH1A1
SCHEMBL10118903 0.78 NCF1 (0.62) NCF1CHKAGAAL3MBTL1KMT2A
SCHEMBL18591747 0.78 DRD4 (0.41) NCF1GAAALDH1A1MAPT
SCHEMBL8352110 0.77 ALDH1A1 (0.58) NCF1CHKAGAAL3MBTL1KMT2A
SCHEMBL22169661 0.77 KMT2A (0.58) NCF1GAAL3MBTL1KMT2AACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 — — US disclosed
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 — — US disclosed
US-20100029669-A1 3-(SUBSTITUTED ETHYL)-RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA, NV (BE) 2010-02-04 — — US disclosed
US-20100029669-A1 3-(SUBSTITUTED ETHYL)-RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA, NV (BE) 2010-02-04 — — 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-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE IRAK1, IRAK2, IRAK3 NCF1 734/4885CHKA 161/4885GAA 2495/4885
US-20100029669-A1 3-(SUBSTITUTED ETHYL)-RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, RPS27, MRPL21 NCF1 2928/4885CHKA 2950/4885GAA 227/4885

“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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