SCHEMBL4878907

SCHEMBL4878907

CC(=O)N1CCc2c(N3CCCC3)ccc([N+](=O)[O-])c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
MAPT P10636 4/20 0.49
BAZ2B Q9UIF8 1/20 0.48
GPR174 Q9BXC1 1/20 0.48
POLB P06746 4/20 0.47
PKM P14618 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
CTSB P07858 1/20 0.46
AR P10275 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7979886 0.81 BAZ2B (0.51) ALDH1A1MAPTBAZ2BLMNAGAA
SCHEMBL4876383 0.78 GAA (0.58) ALDH1A1MAPTPOLBPKMCYP1A2
SCHEMBL17197287 0.76 BAZ2B (0.49) ALDH1A1MAPTBAZ2BCYP1A2LMNA
SCHEMBL17197463 0.74 NOTUM (0.55) ALDH1A1MAPTBAZ2BPOLBGAA
SCHEMBL13688046 0.74 NOTUM (0.55) ALDH1A1MAPTBAZ2BPOLBPKM
SCHEMBL4876284 0.71 ALDH1A1 (0.50) ALDH1A1MAPTPOLBPKMCYP1A2
SCHEMBL17197355 0.71 BAZ2B (0.46) ALDH1A1MAPTBAZ2BPOLBPKM
SCHEMBL17197264 0.71 NOTUM (0.44) ALDH1A1MAPTBAZ2BGAAMEN1
SCHEMBL11328615 0.70 BAZ2B (0.43) ALDH1A1MAPTBAZ2BGPR174POLB
SCHEMBL11342850 0.70 BAZ2B (0.43) ALDH1A1MAPTBAZ2BGPR174GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756101-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME Acadia Pharmaceuticals Inc. (US) 2007-02-28 EP claimed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US claimed
WO-2005115361-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2005-12-08 WO claimed
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIAN PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-7268232-B2 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. (US) 2007-09-11 US disclosed
EP-1756101-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME Acadia Pharmaceuticals Inc. (US) 2007-02-28 EP disclosed
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same ACADIA PHARMACEUTICALS INC. 2007-01-04 US disclosed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US disclosed
WO-2005115361-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2005-12-08 WO 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 (3 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-20060014739-A1 Androgen receptor modulators and method of treating disease using the same NR5A1, AR, CYP17A1 ALDH1A1 427/4885MAPT 3702/4885BAZ2B 1122/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA ALDH1A1 404/4885MAPT 3809/4885BAZ2B 1072/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 ALDH1A1 427/4885MAPT 3702/4885BAZ2B 1122/4885

“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.