SCHEMBL2772701

SCHEMBL2772701

CCSC1CCN(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
CPN1 P15169 2/20 0.33
CPB2 Q96IY4 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 2/20 0.32
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31
EPHX2 P34913 2/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9029595 0.81 ALDH1A1 (0.41) ALDH1A1CPN1CPB2NPC1ALOX15
SCHEMBL4789168 0.80 GNAI3 (0.40) MAPTEPHX2GNAI3GNAO1GNAI1
SCHEMBL1008489 0.77 ALDH1A1 (0.35) ALDH1A1NPC1GAAPHGDHMGLL
SCHEMBL15477193 0.76 EPHX1 (0.31) ALDH1A1ALOX15MAPK1
SCHEMBL2206284 0.73 ALDH1A1 (0.33) ALDH1A1CPN1CPB2NPC1EPHX2
SCHEMBL23120446 0.73 ALDH1A1 (0.38) ALDH1A1CPN1CPB2GAAGNAI3
SCHEMBL22488565 0.73 CHRNB2 (0.39) GAATHRBATML3MBTL1
SCHEMBL20340605 0.72 ALDH1A1 (0.32) ALDH1A1CPN1CPB2
SCHEMBL155583 0.72 EPHX2 (0.41) ALDH1A1CPN1CPB2NPC1GAA
SCHEMBL796181 0.72 ALDH1A1 (0.36) ALDH1A1CPN1CPB2

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
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
CN-101835764-B Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC 2012-09-19 CN disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
CN-101835764-A Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC 2010-09-15 CN disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 ALDH1A1 1659/4885CPN1 1051/4885CPB2 2850/4885

“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.