SCHEMBL411913

SCHEMBL411913

C[C@H](N)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cnc2ccccc2c1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.73
PGR P06401 3/20 0.58

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
Trifluoroacetic Acid SCHEMBL444824 0.93 NR3C1 (0.77) NR3C1PGR
SCHEMBL14185602 0.89 NR3C1 (0.79) NR3C1PGR
SCHEMBL850923 0.89 NR3C1 (0.71) NR3C1PGR
Trifluoroacetic Acid SCHEMBL2999259 0.88 NR3C1 (0.89) NR3C1PGR
Hydrochloric Acid SCHEMBL834885 0.88 NR3C1 (0.70) NR3C1PGR
SCHEMBL12101194 0.87 NR3C1 (0.72) NR3C1PGR
SCHEMBL835586 0.87 NR3C1 (0.72) NR3C1PGR
SCHEMBL412277 0.87 NR3C1 (0.72) NR3C1PGR
SCHEMBL836035 0.85 NR3C1 (1.00) NR3C1PGR
SCHEMBL836034 0.85 NR3C1 (1.00) NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US disclosed
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 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 (6 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 NR3C1 2841/4885PGR 1005/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NR3C1 2841/4885PGR 1005/4885
US-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R NR3C1 1/4885PGR 263/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NR3C1 2841/4885PGR 1005/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R NR3C1 1/4885PGR 281/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NR3C1 2841/4885PGR 1005/4885

“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.