SCHEMBL3545131

SCHEMBL3545131

CCOC(=O)c1cc(C)n(-c2cc(F)cc(F)c2)c1CC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 4/20 0.42
KDM4E B2RXH2 3/20 0.42
CNR2 P34972 4/20 0.40
CNR1 P21554 3/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRNA7 P36544 2/20 0.38

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
SCHEMBL19284327 0.82 CNR2 (0.58) MAPK1LMNAMAPTTSHRKDM4E
SCHEMBL23732184 0.74 KDM4E (0.50) MAPK1LMNAMAPTTSHRKDM4E
SCHEMBL3547077 0.72 ALDH1A1 (0.44) LMNAMAPTKDM4EHPGDHTT
SCHEMBL7166760 0.69 NOTUM (0.55) MAPK1LMNAMAPTTSHRHPGD
SCHEMBL408173 0.69 NPC1 (0.45) MAPK1LMNATSHRKDM4ERAB9A
SCHEMBL1202702 0.68 CA12 (0.62) LMNAMAPTTSHRKDM4EALDH1A1
SCHEMBL3541988 0.68 NPC1 (0.41) LMNAMAPTTSHRKDM4EHPGD
SCHEMBL23127819 0.67 ALDH1A1 (0.49) MAPK1LMNAMAPTTSHRKDM4E
SCHEMBL23113012 0.67 SMN1; SMN2 (0.75) MAPK1LMNAMAPTTSHRHPGD
SCHEMBL20604213 0.67 MAPK1 (0.79) MAPK1LMNAMAPTTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 US disclosed
EP-1935881-A1 ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 EP 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-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds OPRL1, NPSR1, NPBWR1 MAPK1 551/4885LMNA 3162/4885MAPT 2946/4885

“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.