SCHEMBL13439031

SCHEMBL13439031

CC(C)(C)SN[C@H]1CC[C@H](CNc2ccc(-c3ccno3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TOP1 P11387 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 1/20 0.34
PTGS2 P35354 2/20 0.33
SYK P43405 1/20 0.33
MAPK14 Q16539 1/20 0.33
SREBF2 Q12772 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 2/20 0.32
CNR2 P34972 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
CNR1 P21554 1/20 0.32
MEN1 O00255 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
SCHEMBL11942232 1.00 NOTUM (0.34) NOTUMCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL11942242 0.82 TAAR1 (0.37) CYP2D6CYP2C19KDM4EMAPK1MAPK14
SCHEMBL13439033 0.82 TAAR1 (0.37) CYP2D6CYP2C19KDM4EMAPK1MAPK14
SCHEMBL13439041 0.81 IMPDH2 (0.41) NOTUMCYP2D6KDM4ESYKPOLB
SCHEMBL11941010 0.81 IMPDH2 (0.41) NOTUMCYP2D6KDM4ESYKPOLB
SCHEMBL17090358 0.81 TOP1 (0.39) TOP1PTGS2SYKMAPK14CNR2
SCHEMBL13565095 0.81 TOP1 (0.39) TOP1PTGS2SYKMAPK14CNR2
SCHEMBL13113878 0.80 JAK2 (0.36) KDM4EMAPK1MAPK14POLBCNR2
SCHEMBL11935485 0.78 NOTUM (0.41) NOTUMCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL13439220 0.78 NOTUM (0.41) NOTUMCYP1A2CYP2D6CYP19A1CYP2C9

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-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R NOTUM 1567/4885CYP1A2 1578/4885CYP2D6 1711/4885

“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.