SCHEMBL1093152

SCHEMBL1093152

O=C(c1ccc(-c2ccc(CC3CCN(N4CCC(O)CC4)C3=O)cc2)cc1Cl)N1CCC(C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.37
MTOR P42345 5/20 0.37
CHRM2 P08172 1/20 0.36
MAPK14 Q16539 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HTR2B P41595 2/20 0.36
SPR P35270 3/20 0.34
HSD11B1 P28845 1/20 0.34
RORC P51449 1/20 0.34
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
JAK1 P23458 1/20 0.33
CCR3 P51677 1/20 0.33
NR1I2 O75469 1/20 0.33
CACNA1B Q00975 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
SCHEMBL1093150 1.00 PIK3CA (0.37) PIK3CAMTORCHRM2MAPK14CYP2C9
SCHEMBL1092608 0.86 CHRM2 (0.37) PIK3CAMTORCHRM2SPR
SCHEMBL1092603 0.86 CHRM2 (0.37) PIK3CAMTORCHRM2SPR
SCHEMBL1104453 0.85 SPR (0.37) HTR2BSPRTRPV1
SCHEMBL1092071 0.84 HTR2B (0.37) HTR2BSPRHSD11B1HRH3TRPV1
SCHEMBL1093625 0.84 HTR2B (0.37) HTR2BSPRHSD11B1HRH3TRPV1
SCHEMBL1092073 0.84 HTR2B (0.37) HTR2BSPRHSD11B1HRH3TRPV1
Water SCHEMBL1093097 0.83 HTR2B (0.37) HTR2BSPRHSD11B1HRH3TRPV1
Water SCHEMBL1093098 0.83 HTR2B (0.37) HTR2BSPRHSD11B1HRH3TRPV1
SCHEMBL13310762 0.80 HTR2B (0.35) HTR2BSPRHSD11B1HRH3CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153807-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
EP-2021336-B1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2010-06-30 EP disclosed
US-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BUSH JULIE KAY 2009-04-30 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 (1 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-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 PIK3CA 814/4885MTOR 676/4885CHRM2 4381/4885

“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.