SCHEMBL3510801

SCHEMBL3510801

CN1CCN(c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.74
DGAT1 O75907 1/20 0.63
SOAT1 P35610 1/20 0.63
KCNH2 Q12809 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.62
ALDH1A1 P00352 3/20 0.62
TOP1 P11387 2/20 0.62
TOP2A P11388 2/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
DRD3 P35462 4/20 0.61
DRD2 P14416 3/20 0.61
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
SLCO2B1 O94956 1/20 0.57
GLA P06280 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
KMT2A Q03164 1/20 0.57
BCL2L1 Q07817 1/20 0.57

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
SCHEMBL3217994 0.93 ACHE (0.80) ACHESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL3925663 0.90 ACHE (0.76) ACHESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL21017604 0.86 DGAT1 (0.63) ACHEDGAT1SOAT1KCNH2SMN1; SMN2
SCHEMBL12834057 0.85 FGFR1 (0.71) ACHEDGAT1SOAT1KCNH2SMN1; SMN2
SCHEMBL12833888 0.85 FGFR1 (0.64) ACHESMN1; SMN2ALDH1A1TOP1TOP2A
SCHEMBL16205099 0.84 ACHE (0.68) ACHESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL532061 0.84 ACHE (0.68) ACHESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL20768152 0.83 ALDH1A1 (0.63) ACHEDGAT1SOAT1KCNH2SMN1; SMN2
SCHEMBL14399402 0.83 ALDH1A1 (0.80) DGAT1SOAT1KCNH2SMN1; SMN2ALDH1A1
SCHEMBL8769012 0.83 ALDH1A1 (0.72) ACHEDGAT1SOAT1KCNH2SMN1; SMN2

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 7 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 claimed
EP-2227456-A2 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF Siena Biotech S.p.A. (IT) 2010-09-15 EP claimed
WO-2009074300-A2 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2009-06-18 WO claimed
US-8592463-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2013-11-26 US disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US disclosed
EP-2227456-A2 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF Siena Biotech S.p.A. (IT) 2010-09-15 EP disclosed
WO-2009074300-A2 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2009-06-18 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO ACHE 4747/4885DGAT1 882/4885SOAT1 2126/4885

“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.