SCHEMBL959307

SCHEMBL959307

C=CCC(O)CCN(Cc1cccc(-c2ccc(F)cc2)c1CN1CCN(C)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.33
GRM2 Q14416 2/20 0.32
CHRM3 P20309 1/20 0.31
MLNR O43193 4/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
HTR2A P28223 1/20 0.31
HTR6 P50406 2/20 0.31
HTR2C P28335 1/20 0.31
MCHR1 Q99705 1/20 0.31
CYP3A4 P08684 1/20 0.30
ACKR3 P25106 1/20 0.30
MC4R P32245 1/20 0.30

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
SCHEMBL958985 0.90 HTR6 (0.35) GRM2MLNRHTR6HTR2CMCHR1
SCHEMBL959306 0.71 ALDH1A1 (0.34) CHRM3HTR2AHTR6CYP3A4MC4R
SCHEMBL958984 0.60 SMN1; SMN2 (0.37) HTR6CYP3A4MC4R
SCHEMBL4818893 0.60 CTSK (0.36) CYP3A4
SCHEMBL8329022 0.59 ALDH1A1 (0.50)
SCHEMBL1956100 0.59 VEGFA (0.46) HTR7CHRM3
SCHEMBL20742777 0.59 SSTR4 (0.37) DRD2DRD3ACKR3
SCHEMBL757279 0.59 HDAC1 (0.48)
SCHEMBL2900453 0.59 HTR2A (0.37) CHRM3DRD2DRD4DRD3HTR2A
SCHEMBL4744310 0.58 SSTR4 (0.56) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 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 (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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 HTR7 3386/4885GRM2 2954/4885CHRM3 4261/4885

“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.