SCHEMBL4279870

SCHEMBL4279870

O=C(COC(c1ccccc1)c1ccccc1)N1CCN(Cc2ccnc(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTR7 P34969 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GRM5 P41594 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL5065803 0.85 LMNA (0.58) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL1822525 0.84 GRM5 (0.62) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL4271755 0.83 LMNA (0.46) ALDH1A1KDM4EMAPTTSHRTDP1
SCHEMBL12539041 0.81 KDR (0.53) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL8237121 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTTSHRTDP1
SCHEMBL10335011 0.79 MEN1 (0.57) ALDH1A1TSHRPOLBNPC1CYP3A4
SCHEMBL5048004 0.77 ATM (0.41) KDM4ETSHRLMNASMN1; SMN2ATM
SCHEMBL1820620 0.75 MEN1 (0.65) KDM4ELMNAATMMEN1KMT2A
SCHEMBL12538869 0.75 KDR (0.52) ALDH1A1KDM4ETSHRLMNASMN1; SMN2
SCHEMBL1822987 0.73 KDR (0.53) ALDH1A1KDM4EPOLBSMN1; SMN2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US claimed
EP-1976841-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2008-10-08 EP claimed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 WO claimed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 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 (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-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS RYR2, CACNA1E, RYR1 ALDH1A1 3323/4885KDM4E 4110/4885MAPT 3601/4885

“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.