SCHEMBL328235

SCHEMBL328235

CCCCOC(=O)Nc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
NAMPT P43490 1/20 0.49
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
ALOX12 P18054 1/20 0.47
JAK2 O60674 2/20 0.45
JAK3 P52333 2/20 0.45
PTK2 Q05397 2/20 0.45
EPHX2 P34913 3/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
GPR119 Q8TDV5 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
SCHEMBL10156800 0.88 NAMPT (0.60) RAB9AHPGDLMNANAMPTNPC1
SCHEMBL10156184 0.85 RAB9A (0.57) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL10127693 0.85 NAMPT (0.52) NAMPTALOX12GPR119
SCHEMBL10155772 0.84 PDE4A (0.47) RAB9AHPGDLMNANAMPTNPC1
SCHEMBL5659857 0.84 NAMPT (0.54) RAB9ALMNANAMPTNPC1CYP2C9
SCHEMBL2878255 0.82 NAMPT (0.57) RAB9ANAMPTNPC1ALOX12JAK2
SCHEMBL328326 0.82 PDE4B (0.49) RAB9AHPGDLMNANAMPTNPC1
SCHEMBL16835018 0.82 NAMPT (0.53) RAB9ALMNANAMPTNPC1CYP2C9
SCHEMBL5663251 0.81 PTPN2 (0.62) RAB9AHPGDLMNANAMPTNPC1
SCHEMBL5514009 0.80 DRD2 (0.56) NAMPTALOX12

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 8 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-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP 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 RAB9A 1850/4885HPGD 4520/4885LMNA 2845/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 RAB9A 1850/4885HPGD 4520/4885LMNA 2845/4885

“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.