SCHEMBL533919

SCHEMBL533919

Cc1ccccc1C(=NC1CC1)NN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.34
ERCC5 P28715 1/20 0.33

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
SCHEMBL13208833 0.77 MAOA (0.44) NPC1RAB9AMAOAMAOBALDH1A1
SCHEMBL3064204 0.75 NPC1 (0.60) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL533874 0.74 P2RX7 (0.45) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL21152449 0.72 MAOA (0.45) NPC1RAB9AMAOAMAOBALDH1A1
SCHEMBL2992104 0.66 MAOA (0.41) NPC1RAB9AMAOAMAOBALDH1A1
SCHEMBL2992101 0.66 MAOA (0.41) NPC1RAB9AMAOAMAOBALDH1A1
SCHEMBL4749109 0.65 MAOA (0.47) NPC1RAB9AMAOAMAOBALDH1A1
SCHEMBL1128274 0.65 HPGD (0.60) NPC1RAB9AMAOAMAOBALDH1A1
SCHEMBL3957272 0.65 MAOA (0.47) NPC1RAB9AMAOAMAOBALDH1A1
SCHEMBL30677293 0.65 HPGD (0.60) NPC1RAB9AMAOAMAOBALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 SIGMAR1 3636/4885GRIN2D 3472/4885GRIN3B 2119/4885

“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.