SCHEMBL10155772

SCHEMBL10155772

CCCCOC(=O)Nc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP2C9 P11712 2/20 0.44
HPGD P15428 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
STS P08842 1/20 0.44
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43

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
SCHEMBL328326 0.93 PDE4B (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10157334 0.86 RAB9A (0.50) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL282296 0.85 ALDH1A1 (0.48) PDE4BALDH1A1LMNARAB9ANPC1
SCHEMBL328235 0.84 RAB9A (0.50) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL10156800 0.84 NAMPT (0.60) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL17689750 0.82 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL328215 0.81 RAB9A (0.45) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL10156178 0.81 RAB9A (0.49) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL17690571 0.77 RAB9A (0.46) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL282618 0.75 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1

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-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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 (2 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PDE4A 1151/4885PDE4B 819/4885PDE4C 1202/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PDE4A 1151/4885PDE4B 819/4885PDE4C 1202/4885

“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.