SCHEMBL13033686

SCHEMBL13033686

CC1CCCN1C1CCN(c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
FGFR1 P11362 3/20 0.43
FLT1 P17948 2/20 0.43
ABL1 P00519 1/20 0.43
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.41
TRPC3 Q13507 1/20 0.40
SSTR2 P30874 1/20 0.40
KCNH2 Q12809 1/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
AMY1A P0DUB6 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
LMNA P02545 1/20 0.38
BRD4 O60885 1/20 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
SCHEMBL16328077 0.86 TRPC3 (0.55) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL13033477 0.85 ABL1 (0.58) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL3511028 0.84 ABL1 (0.60) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL13033398 0.81 SSTR2 (0.54) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL3511829 0.81 KDM4E (0.51) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL13033829 0.81 FGFR1 (0.50) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL27941407 0.81 BCHE (0.59) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL13033687 0.80 FGFR1 (0.46) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL13033553 0.80 FGFR1 (0.51) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL13033474 0.79 KDM4E (0.56) 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.