SCHEMBL1284041

SCHEMBL1284041

CN1CCC(N(C)C(=O)C2CCN(c3ccc(F)c(-c4nc5cc(Cl)ccc5[nH]4)c3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
HRH4 Q9H3N8 4/20 0.38
HRH3 Q9Y5N1 2/20 0.38
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
LMNA P02545 1/20 0.37
CCR4 P51679 1/20 0.36
NOTUM Q6P988 1/20 0.36
MCHR1 Q99705 3/20 0.36
NPY5R Q15761 1/20 0.36
BRD4 O60885 2/20 0.36
SSTR2 P30874 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRM4 P08173 1/20 0.35
VCP P55072 1/20 0.35

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
SCHEMBL1624666 0.94 PDE3B (0.44) PYGLPDE3BPDE3AHRH3PDGFRB
SCHEMBL1625722 0.90 PDE3B (0.43) PYGLPDE3BPDE3AHRH3PDGFRB
SCHEMBL1285001 0.86 PDE3B (0.43) PYGLPDE3BPDE3AHRH4HRH3
SCHEMBL1625479 0.83 NOTUM (0.43) PYGLPDE3BPDE3AHRH3PDGFRB
SCHEMBL1623232 0.82 PDE3B (0.48) PDE3BPDE3ALMNANOTUMSSTR2
SCHEMBL1625215 0.81 LMNA (0.51) HRH4HRH3PDGFRBFGFR1KDR
SCHEMBL1625051 0.81 F10 (0.46) PYGLPDE3BPDE3AHRH4LMNA
SCHEMBL1625552 0.81 NOTUM (0.44) PDE3BPDE3AHRH3PDGFRBFGFR1
SCHEMBL1625588 0.81 NOTUM (0.40) PYGLPDE3BPDE3AHRH3NOTUM
Hydrochloric Acid SCHEMBL1283814 0.81 PDE3B (0.47) PDE3BPDE3ALMNANOTUMSSTR2

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 9 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-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
EP-2440544-B1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH SPA (IT) 2013-08-14 EP disclosed
EP-2440544-B1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH SPA (IT) 2013-08-14 EP 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
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
WO-2010142426-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-12-16 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-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO PYGL 1459/4885PDE3B 3289/4885PDE3A 3303/4885

“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.