SCHEMBL5513898

SCHEMBL5513898

Nc1ccc2c(c1)OCCN2CC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.47
NR3C1 P04150 4/20 0.47
PGR P06401 4/20 0.47
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
NR3C2 P08235 1/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
NPY5R Q15761 1/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL24630030 0.83 NR3C1 (0.39) ARNR3C1PGRGAAMAPT
SCHEMBL5516550 0.80 NR3C1 (0.41) ARNR3C1PGRGAAMAPT
SCHEMBL29631754 0.78 NOS3 (0.40) GAAMAPTKDM4ESMN1; SMN2NPY5R
SCHEMBL11969208 0.78 NOS3 (0.40) GAAMAPTKDM4ESMN1; SMN2NPY5R
SCHEMBL5517360 0.78 AR (0.44) ARGAAMAPTKDM4ESMN1; SMN2
SCHEMBL5518960 0.77 AR (0.46) ARNR3C1PGRGAASMN1; SMN2
SCHEMBL31251331 0.77 NR3C1 (0.45) ARNR3C1PGRGAAMAPT
SCHEMBL5515264 0.77 AR (0.45) ARGAAMAPTKDM4ESMN1; SMN2
SCHEMBL31490291 0.75 SCN9A (0.49) ARGAAMAPTSMN1; SMN2KMT2A
SCHEMBL23768823 0.75 SCN9A (0.49) ARGAAMAPTSMN1; SMN2KMT2A

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
US-20070167445-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-07-19 US disclosed
EP-1212330-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2006-04-19 EP disclosed
US-20030186970-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC, 2003-10-02 US disclosed
US-6462038-B1 SUCH AS 1,2,3,6-TETRAHYDRO-1-METHYL-9-(TRIFLUOROMETHYL)-7H-(1,4)OXAZINO(3,2 -G)QUINOLIN-7-ONE; NONSTEROIDAL, HIGH AFFINITY AND SPECIFICITY ANTAGONISTS AND AGONISTS OR PARTIAL AGONISTS, I.E. PARTIAL AND/OR TISSUE SPECIFIC ACTIVATORS LIGAND PHARMACEUTICALS, INC. 2002-10-08 US disclosed
WO-2001016139-A9 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2002-09-19 WO disclosed
EP-1212330-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP disclosed
WO-2001016139-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 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 (2 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-20030186970-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885NR3C1 20/4885PGR 96/4885
US-20070167445-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885NR3C1 20/4885PGR 96/4885

“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.