SCHEMBL10156376

SCHEMBL10156376

CCCCOC(=O)Nc1cccc(C2CCNCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.58
HPGD P15428 6/20 0.58
LMNA P02545 1/20 0.58
NPC1 O15118 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
TLR2 O60603 2/20 0.48
EPHX2 P34913 1/20 0.48
CASP1 P29466 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL10156681 0.86 NPC1 (0.55) RAB9AHPGDNPC1SMN1; SMN2CASP1
SCHEMBL10156184 0.85 RAB9A (0.57) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL5324244 0.83 HTR2C (0.55) ALDH1A1MAPK1
SCHEMBL10156178 0.81 RAB9A (0.49) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL5998876 0.81 MGLL (0.58)
SCHEMBL10156819 0.80 RAB9A (0.51) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL7565913 0.80 RAB9A (0.81) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL6224995 0.80 F2R (0.52) RAB9AHPGDNPC1ALDH1A1MAPT
SCHEMBL328235 0.79 RAB9A (0.50) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL3556953 0.79 POLB (0.52) RAB9ALMNACYP2C19L3MBTL1

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 1850/4885HPGD 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.