SCHEMBL13438679

SCHEMBL13438679

Cc1cc(N)ccc1NC[C@H]1CC[C@H](N)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.44
RAD52 P43351 1/20 0.41
BRD4 O60885 5/20 0.37
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRKCQ Q04759 1/20 0.36
KHK P50053 1/20 0.36
TNIK Q9UKE5 1/20 0.36
PAK4 O96013 1/20 0.36
PAK1 Q13153 1/20 0.36
BTK Q06187 1/20 0.35
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CYP3A4 P08684 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34

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
SCHEMBL11935117 1.00 PTGER4 (0.44) PTGER4RAD52BRD4CYP1A2MAPT
SCHEMBL31206128 0.81 PTGER4 (0.39) PTGER4BRD4PRKCQKHKTNIK
SCHEMBL25039310 0.81 PTGER4 (0.39) PTGER4BRD4PRKCQKHKTNIK
SCHEMBL31206022 0.80 PTGER4 (0.41) PTGER4BRD4ALDH1A1PRKCQKHK
SCHEMBL25039988 0.80 PTGER4 (0.41) PTGER4BRD4ALDH1A1PRKCQKHK
SCHEMBL13439229 0.80 HRH3 (0.41) PTGER4BRD4MAPTALDH1A1
SCHEMBL11935473 0.80 HRH3 (0.41) PTGER4BRD4MAPTALDH1A1
SCHEMBL13439234 0.79 GPR4 (0.41) PTGER4PRKCQKHK
SCHEMBL13439190 0.79 KHK (0.39) PTGER4BRD4PRKCQKHKPAK4
SCHEMBL11935489 0.79 GPR4 (0.41) PTGER4PRKCQKHK

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 PTGER4 935/4885RAD52 4150/4885BRD4 1136/4885

“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.