SCHEMBL1623232

SCHEMBL1623232

O=C(O)C1CCN(c2ccc(F)c(-c3nc4cc(Cl)ccc4[nH]3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
KCNH2 Q12809 3/20 0.46
DGAT1 O75907 2/20 0.46
ADORA2A P29274 2/20 0.46
FFAR4 Q5NUL3 1/20 0.45
NOTUM Q6P988 10/20 0.44
LMNA P02545 1/20 0.43
AKR1C3 P42330 1/20 0.43
CHEK2 O96017 1/20 0.40
SSTR2 P30874 1/20 0.40
S1PR1 P21453 1/20 0.40
PDK2 Q15119 1/20 0.39

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
Hydrochloric Acid SCHEMBL1283814 0.99 PDE3B (0.47) PDE3BPDE3AKCNH2DGAT1ADORA2A
SCHEMBL1624785 0.89 PDE3B (0.47) PDE3BPDE3AKCNH2DGAT1ADORA2A
SCHEMBL1623592 0.88 LMNA (0.52) KCNH2NOTUMLMNA
Hydrochloric Acid SCHEMBL1283850 0.88 PDE3B (0.46) PDE3BPDE3AKCNH2DGAT1ADORA2A
SCHEMBL1623193 0.86 FFAR4 (0.48) PDE3BPDE3AKCNH2DGAT1ADORA2A
SCHEMBL1284034 0.86 PDE3B (0.46) PDE3BPDE3AKCNH2DGAT1ADORA2A
SCHEMBL1625215 0.86 LMNA (0.51) KCNH2LMNA
Hydrochloric Acid SCHEMBL1284592 0.85 PDE3B (0.46) PDE3BPDE3AKCNH2DGAT1ADORA2A
SCHEMBL1625057 0.82 EPHX2 (0.47)
SCHEMBL1625569 0.82 TP53 (0.46) LMNA

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 6 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
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
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 PDE3B 3289/4885PDE3A 3303/4885KCNH2 4706/4885

“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.