SCHEMBL13439153

SCHEMBL13439153

Cc1ccc(N2C(=O)c3ccc(NC[C@H]4CC[C@H](N)CC4)cc3C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ POLB P06746 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NPC1 O15118 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ CASP1 P29466 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CA9 Q16790 3/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MAPK1 P28482 2/20 0.40
▸ APP P05067 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL11935406 1.00 ALDH1A1 (0.51) ALDH1A1POLBHPGDNPC1TSHR
SCHEMBL11935411 0.90 ALDH1A1 (0.44) ALDH1A1POLBHPGDNPC1TSHR
SCHEMBL13439150 0.90 ALDH1A1 (0.44) ALDH1A1POLBHPGDNPC1TSHR
SCHEMBL11940765 0.89 ALDH1A1 (0.47) ALDH1A1POLBHPGDCASP1CASP7
SCHEMBL11935266 0.89 ALDH1A1 (0.47) ALDH1A1POLBHPGDCASP1CASP7
SCHEMBL13439275 0.87 CNR2 (0.41) ALDH1A1POLBHPGDNPC1TSHR
SCHEMBL11935532 0.87 CNR2 (0.41) ALDH1A1POLBHPGDNPC1TSHR
SCHEMBL11935275 0.84 CNR2 (0.49) ALDH1A1POLBHPGDTSHRHSD17B10
SCHEMBL17145929 0.84 CNR2 (0.49) ALDH1A1POLBHPGDTSHRHSD17B10
SCHEMBL13565926 0.81 ALDH1A1 (0.44) ALDH1A1POLBHPGDNPC1TSHR

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 ALDH1A1 3842/4885POLB 4519/4885HPGD 2703/4885

“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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