SCHEMBL3546348

SCHEMBL3546348

COCCN(c1nc(C)cs1)C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.39
PI4KB Q9UBF8 2/20 0.38
SLC12A5 Q9H2X9 3/20 0.35
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM5 P41594 1/20 0.32
NPC1 O15118 1/20 0.32
S1PR1 P21453 2/20 0.32
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3579027 0.96 CRHR1 (0.35) CRHR1PI4KBSLC12A5ALDH1A1TP53
SCHEMBL3557687 0.80 PTGDR2 (0.42) CRHR1PI4KBALDH1A1TP53GAA
SCHEMBL3436225 0.79 SMN1; SMN2 (0.47) PI4KBALDH1A1GAARAB9AMEN1
SCHEMBL3436205 0.76 PTGDR2 (0.38) CRHR1PI4KBALDH1A1TP53GAA
SCHEMBL18674691 0.75 ALDH1A1 (0.35) CRHR1SLC12A5ALDH1A1TP53GAA
SCHEMBL13999555 0.75 RAB9A (0.46) ALDH1A1GAARAB9AMEN1KMT2A
SCHEMBL18678194 0.74 CRHR1 (0.42) CRHR1ALDH1A1TP53GAARAB9A
SCHEMBL3435734 0.72 PI4KB (0.34) CRHR1PI4KBALDH1A1TP53GAA
SCHEMBL10278264 0.72 LMNA (0.37) CRHR1ALDH1A1TP53GAARAB9A
SCHEMBL3573088 0.71 CHI3L1 (0.41) CRHR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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 (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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 CRHR1 2390/4885PI4KB 1652/4885SLC12A5 3229/4885

“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.