SCHEMBL13033243

SCHEMBL13033243

COc1ccc(OCC(O)CN2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.72
ALDH1A1 P00352 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
L3MBTL1 Q9Y468 3/20 0.72
MAPK1 P28482 2/20 0.72
DRD4 P21917 1/20 0.71
TSHR P16473 2/20 0.70
HSD17B10 Q99714 2/20 0.70
CACNA1G O43497 4/20 0.68
KCNH2 Q12809 2/20 0.68
POLB P06746 2/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
SIGMAR1 Q99720 1/20 0.65
MAPT P10636 1/20 0.63
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62

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
SCHEMBL13621747 0.88 CACNA1G (0.87) SMN1; SMN2ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL4578208 0.88 KDM4E (0.85) CYP2D6CYP2C19L3MBTL1MAPK1DRD4
SCHEMBL15275436 0.84 KMT2A (0.83) ALDH1A1CYP2D6L3MBTL1MAPK1DRD4
SCHEMBL28632862 0.84 MAPK1 (0.91) ALDH1A1L3MBTL1MAPK1CACNA1GMEN1
SCHEMBL4753148 0.84 KDM4E (0.70) SMN1; SMN2ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL19873508 0.83 CACNA1G (0.78) SMN1; SMN2ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL31510211 0.82 KDM4E (0.76) CYP2D6CYP2C19L3MBTL1MAPK1DRD4
SCHEMBL15275435 0.82 USP2 (0.61) SMN1; SMN2ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL3970369 0.82 L3MBTL1 (0.97) SMN1; SMN2ALDH1A1CYP2D6CYP2C19L3MBTL1
SCHEMBL11240406 0.82 L3MBTL1 (0.97) SMN1; SMN2ALDH1A1CYP2D6CYP2C19L3MBTL1

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
EP-2498599-B1 ANALGESIC THAT BINDS FILAMIN A PAIN THERAPEUTICS INC (US) 2014-08-20 EP disclosed
US-20100279997-A1 ANALGESIC THAT BINDS FILAMIN A PAIN THERAPEUTICS 2010-11-04 US disclosed
WO-2010051374-A1 ANALGESIC THAT BINDS FILAMIN A PAIN THERAPEUTICS, INC. (US) 2010-05-06 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-20100279997-A1 ANALGESIC THAT BINDS FILAMIN A FLNA, FLNB, OPRL1 SMN1; SMN2 843/4885ALDH1A1 1476/4885CYP2D6 1678/4885

“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.