SCHEMBL14930772

SCHEMBL14930772

N#CC1(Nc2ccc(CCCO)cc2)CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CA2 P00918 4/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA4 P22748 3/20 0.41
CA5A P35218 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA13 Q8N1Q1 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CYP4A11 Q02928 2/20 0.36
PDE4A P27815 3/20 0.33
LTA4H P09960 1/20 0.32
EPHX2 P34913 1/20 0.32
CYP4F2 P78329 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL5089500 0.85 CYP1A2 (0.55) CYP1A2GAASMN1; SMN2CA2CA12
SCHEMBL12494506 0.85 CYP1A2 (0.55) CYP1A2GAASMN1; SMN2CA2CA12
SCHEMBL1716076 0.84 CYP1A2 (0.62) CYP1A2GAASMN1; SMN2CA2CA12
SCHEMBL547427 0.83 CYP1A2 (0.50) CYP1A2GAASMN1; SMN2CA2CA12
SCHEMBL548039 0.83 CYP1A2 (0.50) CYP1A2GAASMN1; SMN2CA2CA12
SCHEMBL3658921 0.82 CYP1A2 (0.59) CYP1A2GAASMN1; SMN2CA2CA12
SCHEMBL11893308 0.82 CYP1A2 (0.51) CYP1A2GAASMN1; SMN2CA2CA12
SCHEMBL12493846 0.80 CYP1A2 (0.47) CYP1A2GAASMN1; SMN2CA2CA12
SCHEMBL1715829 0.80 CYP1A2 (0.53) CYP1A2GAASMN1; SMN2CA2CA12
SCHEMBL547624 0.79 CYP1A2 (0.46) CYP1A2GAASMN1; SMN2CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357917-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
US-10023556-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2018-07-17 US disclosed
US-10023556-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2018-07-17 US disclosed
EP-3124481-B1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2018-03-28 EP disclosed
EP-3124481-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2017-02-01 EP disclosed
EP-2824102-B1 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS INC (US) 2017-02-01 EP disclosed
US-20160376252-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2016-12-29 US disclosed
US-9481664-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-9108944-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20150182529-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2015-07-02 US disclosed
EP-2824102-A1 Androgen receptor modulators and uses thereof Aragon Pharmaceuticals, Inc. (US) 2015-01-14 EP disclosed
US-20130116258-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-05-09 US 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 (4 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-20130116258-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 CYP1A2 767/4885GAA 3086/4885SMN1; SMN2 4730/4885
US-20150182529-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 CYP1A2 767/4885GAA 3086/4885SMN1; SMN2 4730/4885
US-10023556-B2 Androgen receptor modulators and uses thereof AR, ESRRA, NR5A1 CYP1A2 767/4885GAA 3086/4885SMN1; SMN2 4730/4885
US-20160376252-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 CYP1A2 767/4885GAA 3086/4885SMN1; SMN2 4730/4885

“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.