SCHEMBL10133331

SCHEMBL10133331

O=CNc1ccc(N2CCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.57
TRIM33 Q9UPN9 1/20 0.57
ALDH1A1 P00352 8/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
KDM4E B2RXH2 4/20 0.55
MAPT P10636 6/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
GFER P55789 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 4/20 0.48
HSP90AA1 P07900 1/20 0.48
CCR6 P51684 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48

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
SCHEMBL2320267 0.98 ALDH1A1 (0.58) TRIM24TRIM33ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13973361 0.93 ALDH1A1 (0.53) TRIM24TRIM33ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13973359 0.85 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL5175880 0.85 MAPT (0.51) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL22484604 0.84 L3MBTL3 (0.67) L3MBTL1
SCHEMBL5536262 0.83 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL12881936 0.83 ADRB1 (0.52) ALDH1A1KDM4ELMNAUSP2
SCHEMBL13973363 0.82 L3MBTL3 (0.65) ALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL3440130 0.82 CHKA (0.50) ALDH1A1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL22484768 0.81 L3MBTL3 (0.50) TRIM24TRIM33KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198368-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 WO disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed
US-3978055-A SEDATIVE, ANTIINFLAMMATORY, VASODILATION, BRONCHODILATION DELALANDE S.A. (FR) 1976-08-31 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 (2 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TRIM24 3870/4885TRIM33 3852/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TRIM24 4395/4885TRIM33 4378/4885ALDH1A1 4517/4885

“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.