SCHEMBL3247929

SCHEMBL3247929

CCOC(=O)C1CCN(c2cc(C)nc(N)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.59
LMNA P02545 2/20 0.58
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
KDM4E B2RXH2 2/20 0.56
LGMN Q99538 2/20 0.54
CRHBP P24387 2/20 0.52
CRHR2 Q13324 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HRH4 Q9H3N8 1/20 0.50
MAPT P10636 2/20 0.49
HRH3 Q9Y5N1 2/20 0.48
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GLA P06280 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL6972943 0.87 ALDH1A1 (0.58) SHMT2LMNAALDH1A1KMT2AMEN1
SCHEMBL3256156 0.83 KDM4E (0.62) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL23582102 0.81 HRH3 (0.56) SHMT2LMNAALDH1A1KMT2AMEN1
SCHEMBL31357649 0.81 HRH3 (0.56) SHMT2LMNAALDH1A1KMT2AMEN1
SCHEMBL16648648 0.78 GAA (0.53) SHMT2LMNAALDH1A1KMT2AMEN1
SCHEMBL31357732 0.78 SHMT2 (0.56) SHMT2LMNAALDH1A1KMT2AMEN1
SCHEMBL23582249 0.78 SHMT2 (0.56) SHMT2LMNAALDH1A1KMT2AMEN1
SCHEMBL16648608 0.77 MAPT (0.57) SHMT2LMNAALDH1A1KMT2AMEN1
SCHEMBL3254559 0.77 SHMT2 (0.61) SHMT2ALDH1A1KMT2AKDM4ELGMN
SCHEMBL9413151 0.76 MEN1 (0.56) SHMT2LMNAALDH1A1KMT2AMEN1

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 7 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
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-7176199-B2 Aryl-substituted alicyclic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US 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 SHMT2 4727/4885LMNA 1345/4885ALDH1A1 309/4885

“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.