SCHEMBL1774397

SCHEMBL1774397

C=CCN1CCc2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.46
HRH3 Q9Y5N1 1/20 0.43
HTR1A P08908 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
DRD1 P21728 3/20 0.38
DRD5 P21918 1/20 0.37
MTOR P42345 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL13976100 0.77 DRD2 (0.40) PRCPSIGMAR1DRD1DRD5
SCHEMBL7183265 0.73 HRH3 (0.35) PRCPHRH3HTR1AADRA1DADRA1A
SCHEMBL1772694 0.72 ADRA1D (0.40) PRCPHRH3HTR1AADRA1DADRA1A
SCHEMBL7183260 0.69 ADRA1D (0.40) PRCPHRH3HTR1AADRA1DADRA1A
SCHEMBL14908518 0.69 DRD2 (0.48) PRCPADRA1DADRA1AADRA1BADRA2A
SCHEMBL6521672 0.68 PRCP (0.69) PRCPHTR1AADRA2AADRA2BADRA2C
SCHEMBL6448399 0.68 ADRA1D (0.42) HRH3ADRA1DADRA1AADRA1BSIGMAR1
SCHEMBL9067264 0.67 MAOA (0.38) HTR1AADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL28284813 0.67 SIGMAR1 (0.38) HTR1AADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL29516976 0.67 ALDH1A1 (0.63) PRCPHTR1AADRA1DADRA1AADRA1B

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
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2011-05-12 US disclosed
US-7696246-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-04-13 US disclosed
US-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2010-03-18 US disclosed
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin LIGAND PHARMACEUTICALS, INC. 2005-12-29 US disclosed
US-6964973-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-11-15 US disclosed
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2003-07-10 US disclosed
US-6566372-B1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer LIGAND PHARMACEUTICALS INCORPORATED 2003-05-20 US disclosed
EP-1212303-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP disclosed
WO-2001016108-A2 BICYCLIC ANDROGEN AND PROGESTERONE 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 (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-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR PRCP 1260/4885HRH3 749/4885HTR1A 234/4885
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR PRCP 1260/4885HRH3 749/4885HTR1A 234/4885
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin FSHR, CYP19A1, ESR2 PRCP 2824/4885HRH3 203/4885HTR1A 126/4885
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR PRCP 1260/4885HRH3 749/4885HTR1A 234/4885

“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.