SCHEMBL1623740

SCHEMBL1623740

CN1CCN(C(=O)[C@H]2CCCN(c3ccc(Cl)c(-c4nc5cc(F)ccc5[nH]4)c3)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 15/20 0.46
NOTUM Q6P988 2/20 0.42
BRD4 O60885 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 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
SCHEMBL1625653 0.93 DGAT2 (0.52) DGAT2NOTUM
SCHEMBL1623744 0.93 DGAT2 (0.52) DGAT2NOTUM
SCHEMBL1624775 0.93 DGAT2 (0.51) DGAT2CCNCCDK8
SCHEMBL1625257 0.93 DGAT2 (0.51) DGAT2CCNCCDK8
SCHEMBL1623741 0.91 DGAT2 (0.44) DGAT2NOTUM
SCHEMBL1626157 0.91 DGAT2 (0.46) DGAT2NOTUMBRD4
SCHEMBL1623501 0.91 DGAT2 (0.46) DGAT2NOTUMBRD4
SCHEMBL1625630 0.91 DGAT2 (0.45) DGAT2NOTUM
SCHEMBL1283557 0.90 NOTUM (0.50) DGAT2NOTUMCCNCCDK8
SCHEMBL1283558 0.90 NOTUM (0.50) DGAT2NOTUMCCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 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-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO DGAT2 719/4885NOTUM 4463/4885BRD4 458/4885

“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.