SCHEMBL3942918

SCHEMBL3942918

CC(C)N1CC[N]C(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
KCNH2 Q12809 1/20 0.33
EGFR P00533 1/20 0.32
PTK2 Q05397 1/20 0.32
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL596262 0.70
SCHEMBL27420478 0.67 EGFR (0.33) HRH3KCNH2EGFRPTK2
SCHEMBL11670185 0.65
SCHEMBL27423612 0.65 NOS1 (0.42) ALDH1A1GAAMAPT
SCHEMBL2248553 0.65
SCHEMBL2950463 0.64 NOTUM (0.39) ALDH1A1MAPTTDP1
SCHEMBL3557650 0.64 LMNA (0.35) ALDH1A1
SCHEMBL993348 0.64
SCHEMBL4658 0.63
SCHEMBL7848559 0.62 PIK3CD (0.52) ALDH1A1GAATHRBL3MBTL1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-05-28 US claimed
EP-2049473-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-22 EP claimed
US-7479493-B2 Substituted benzyl amine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-20 US claimed
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US claimed
WO-2008002820-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO claimed
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-05-28 US disclosed
EP-2049473-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-22 EP disclosed
US-7479493-B2 Substituted benzyl amine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-20 US disclosed
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
WO-2008002820-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO 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-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 ALDH1A1 1869/4885GAA 1216/4885THRB 387/4885
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 ALDH1A1 1869/4885GAA 1216/4885THRB 387/4885

“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.