SCHEMBL13033481

SCHEMBL13033481

CC(c1ccccc1)N1CCN(c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
OGA O60502 1/20 0.46
ACHE P22303 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
FGFR1 P11362 2/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
CYP2D6 P10635 1/20 0.41
BRD4 O60885 1/20 0.41
AURKA O14965 1/20 0.41
FLT1 P17948 1/20 0.40
DRD4 P21917 3/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL13033492 0.93 CNR1 (0.45) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL13033461 0.92 KDM4E (0.46) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL13033459 0.90 KDM4E (0.48) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL13033474 0.86 KDM4E (0.56) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL13033444 0.81 KDM4E (0.48) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL13073091 0.80 ALDH1A1 (0.55) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL13033438 0.80 DRD4 (0.55) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL16328077 0.80 TRPC3 (0.55) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL13033476 0.79 DRD4 (0.60) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL13033688 0.79 BRD4 (0.50) KDM4ENPC1ALDH1A1RAB9AGPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO KDM4E 3170/4885NPC1 380/4885ALDH1A1 2448/4885

“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.