SCHEMBL13438688

SCHEMBL13438688

Cc1ccc2cc(NC[C@H]3CC[C@H](N)CC3)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MET P08581 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TERT O14746 1/20 0.37
▸ KDM2B Q8NHM5 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ PAK1 Q13153 1/20 0.35

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
SCHEMBL11934838 1.00 KDM4E (0.42) KDM4EPOLBLMNACASP6KDM1A
SCHEMBL11934831 0.79 NPC1 (0.49) KDM4EPOLBNPC1RAB9ACYP1A2
SCHEMBL13438699 0.79 NPC1 (0.49) KDM4EPOLBNPC1RAB9ACYP1A2
SCHEMBL17090343 0.78 MET (0.40) KDM4EPOLBKDM1ANPC1RAB9A
SCHEMBL13565511 0.78 GRIA2 (0.43) KDM4EKDM1ANPC1RAB9AMET
SCHEMBL13565617 0.78 MET (0.40) KDM4EPOLBKDM1ANPC1RAB9A
SCHEMBL13438851 0.77 MET (0.45) POLBKDM1ANPC1RAB9AMET
SCHEMBL25039299 0.76 ALDH1A1 (0.41) KDM4EPOLBLMNANPC1RAB9A
SCHEMBL30279282 0.76 ALDH1A1 (0.41) KDM4EPOLBLMNANPC1RAB9A
SCHEMBL13565103 0.76 MET (0.39) KDM4EKDM1ANPC1RAB9AMET

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 KDM4E 1765/4885POLB 4519/4885LMNA 3149/4885

“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.

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