SCHEMBL4872032

SCHEMBL4872032

CC1CN(c2ccc([N+](=O)[O-])c3ccccc23)CC(C)O1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.61
CTSB P07858 4/20 0.61
ALDH1A1 P00352 4/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 2/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL3619197 0.83 AR (0.61) ARCTSBGAASMN1; SMN2MAPT
SCHEMBL3619196 0.83 AR (0.61) ARCTSBGAASMN1; SMN2MAPT
SCHEMBL6711500 0.79 AR (0.56) ARCTSBALDH1A1GAASMN1; SMN2
SCHEMBL6711503 0.79 AR (0.56) ARCTSBALDH1A1GAASMN1; SMN2
SCHEMBL4245020 0.77 AR (0.60) ARCTSBALDH1A1GAASMN1; SMN2
SCHEMBL3620476 0.77 AR (0.60) ARCTSBALDH1A1GAASMN1; SMN2
SCHEMBL3603749 0.76 CTSB (1.00) ARCTSBALDH1A1GAASMN1; SMN2
SCHEMBL6391483 0.76 MEN1 (0.64) CTSBALDH1A1GAASMN1; SMN2POLB
SCHEMBL22858551 0.75 CTSB (0.75) ARCTSBALDH1A1GAASMN1; SMN2
SCHEMBL29577374 0.75 CTSB (0.75) ARCTSBALDH1A1GAASMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101248069-A Androgen receptor modulators and methods of treating diseases therewith ACADIAN PHARMACEUTICALS INC (US) 2008-08-20 CN claimed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US claimed
CN-101248069-A Androgen receptor modulators and methods of treating diseases therewith ACADIAN PHARMACEUTICALS INC (US) 2008-08-20 CN disclosed
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
WO-2007092391-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2007-08-16 WO 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 AR 2/4885CTSB 2931/4885ALDH1A1 427/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA AR 2/4885CTSB 2995/4885ALDH1A1 404/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 AR 2/4885CTSB 2931/4885ALDH1A1 427/4885

“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.