SCHEMBL5515264

SCHEMBL5515264

CC(C)CN1CCOc2cc(N)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
MAPT P10636 5/20 0.38
GAA P10253 4/20 0.38
KDM4E B2RXH2 2/20 0.38
PIK3CD O00329 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPY5R Q15761 4/20 0.35
KMT2A Q03164 2/20 0.35
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
NR4A1 P22736 1/20 0.33
PTK2B Q14289 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
SCHEMBL17525482 0.86 NPY5R (0.35) ARMAPTGAAKDM4ESMN1; SMN2
SCHEMBL5516550 0.83 NR3C1 (0.41) ARMAPTGAAKDM4ESMN1; SMN2
SCHEMBL5517360 0.81 AR (0.44) ARMAPTGAAKDM4ESMN1; SMN2
SCHEMBL17505041 0.80 NOS3 (0.42) MAPTGAAKDM4ESMN1; SMN2NPY5R
SCHEMBL17859618 0.79 NOS3 (0.35) MAPTGAAKDM4ESMN1; SMN2NPY5R
SCHEMBL20778882 0.78 KMT2A (0.55) ARMAPTKMT2ATSHRALDH1A1
SCHEMBL20175321 0.78 REN (0.40) ARMAPTGAAKDM4ESMN1; SMN2
SCHEMBL11969208 0.78 NOS3 (0.40) MAPTGAAKDM4ESMN1; SMN2NPY5R
SCHEMBL29631754 0.78 NOS3 (0.40) MAPTGAAKDM4ESMN1; SMN2NPY5R
SCHEMBL24630030 0.77 NR3C1 (0.39) ARMAPTGAAKDM4EPIK3CD

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 1/4885MAPT 3730/4885GAA 4776/4885
US-20070167445-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885MAPT 3730/4885GAA 4776/4885

“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.