SCHEMBL328248

SCHEMBL328248

CCCCOC(=O)Nc1ccc(OC)c(C2CCNCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.48
NPC1 O15118 9/20 0.48
SMN1; SMN2 Q16637 8/20 0.48
HPGD P15428 6/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CASP1 P29466 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
EGFR P00533 2/20 0.46
KDR P35968 2/20 0.46

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
SCHEMBL10156178 0.92 RAB9A (0.49) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL17690622 0.87 RAB9A (0.48) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL10157352 0.81 RAB9A (0.45) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL10156681 0.81 NPC1 (0.55) RAB9ANPC1SMN1; SMN2HPGDCASP1
SCHEMBL328326 0.81 PDE4B (0.49) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL10156376 0.79 RAB9A (0.58) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL10157334 0.78 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL5512313 0.78 HTR2C (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL17690571 0.76 RAB9A (0.46) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL30135893 0.74 RAB9A (0.53) RAB9ANPC1SMN1; SMN2HPGDCYP1A2

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 7 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-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 1850/4885NPC1 3728/4885SMN1; SMN2 4467/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 RAB9A 1850/4885NPC1 3728/4885SMN1; SMN2 4467/4885

“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.