SCHEMBL3256156

SCHEMBL3256156

Cc1cc(N2CCC(C(=O)O)CC2)nc(N)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
USP2 O75604 2/20 0.62
HPGD P15428 2/20 0.62
HSD17B10 Q99714 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
CRHBP P24387 2/20 0.59
CRHR2 Q13324 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HRH4 Q9H3N8 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 2/20 0.55
GFER P55789 1/20 0.55
LMNA P02545 2/20 0.54
HRH3 Q9Y5N1 4/20 0.54
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NEK2 P51955 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL3247929 0.83 SHMT2 (0.59) KDM4EHPGDHSD17B10CRHBPCRHR2
SCHEMBL17979681 0.82 NUDT1 (0.63) KDM4EUSP2HPGDHSD17B10NPSR1
SCHEMBL26345484 0.80 HRH3 (0.71) CRHBPCRHR2SMN1; SMN2HRH4MAPT
SCHEMBL29442417 0.80 HRH3 (0.71) CRHBPCRHR2SMN1; SMN2HRH4MAPT
SCHEMBL1729630 0.80 HRH4 (0.53) KDM4EHPGDHSD17B10CRHBPCRHR2
SCHEMBL1727946 0.78 HRH4 (0.51) KDM4EUSP2HPGDHSD17B10CRHBP
SCHEMBL5844330 0.77 KDM4E (1.00) KDM4EUSP2HPGDHSD17B10NPSR1
SCHEMBL2070887 0.77 KDM4E (0.58) KDM4EUSP2HPGDHSD17B10NPSR1
SCHEMBL5789047 0.77 HRH4 (0.66) CRHBPCRHR2SMN1; SMN2HRH4MAPT
SCHEMBL5788921 0.76 CRHBP (0.96) USP2HSD17B10CRHBPCRHR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371646-B1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2010-05-19 EP disclosed
US-7176199-B2 Aryl-substituted alicyclic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1371646-A1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2003-12-17 EP 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-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same ITGB3, ITGB1, ITGAL KDM4E 1177/4885USP2 3290/4885HPGD 2867/4885

“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.