SCHEMBL3071309

SCHEMBL3071309

CCN(c1ccc(CNC(=O)c2ccc(F)cc2)cn1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR2C P28335 2/20 0.46
MCHR1 Q99705 2/20 0.46
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.43
ROCK2 O75116 1/20 0.42
SSTR3 P32745 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
Hydrochloric Acid SCHEMBL3066991 0.99 SMN1; SMN2 (0.46) SMN1; SMN2LMNAL3MBTL1HTR2CMCHR1
Hydrochloric Acid SCHEMBL3058950 0.99 SMN1; SMN2 (0.46) SMN1; SMN2LMNAL3MBTL1HTR2CMCHR1
Trifluoroacetic Acid SCHEMBL4735806 0.94 SMN1; SMN2 (0.42) SMN1; SMN2LMNAL3MBTL1HTR2CMCHR1
SCHEMBL3069103 0.84 L3MBTL1 (0.52) SMN1; SMN2LMNAL3MBTL1HTR2CMCHR1
Hydrochloric Acid SCHEMBL4736117 0.83 L3MBTL1 (0.51) SMN1; SMN2LMNAL3MBTL1HTR2CMCHR1
Hydrochloric Acid SCHEMBL4782319 0.83 L3MBTL1 (0.51) SMN1; SMN2LMNAL3MBTL1HTR2CMCHR1
SCHEMBL3820988 0.83 LMNA (0.54) SMN1; SMN2LMNAL3MBTL1KCNH2HRH3
Hydrochloric Acid SCHEMBL3815200 0.82 LMNA (0.53) SMN1; SMN2LMNAL3MBTL1KCNH2HRH3
SCHEMBL4735454 0.81 L3MBTL1 (0.55) SMN1; SMN2LMNAL3MBTL1MCHR1EPHX2
SCHEMBL3059414 0.81 AURKA (0.48) SMN1; SMN2LMNAKCNH2HRH3MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
EP-2091917-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-08-26 EP claimed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP disclosed
EP-2091917-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-08-26 EP disclosed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 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 (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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S SMN1; SMN2 1950/4885LMNA 2283/4885L3MBTL1 3453/4885

“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.