SCHEMBL958985

SCHEMBL958985

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.35
GRM2 Q14416 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
MLNR O43193 1/20 0.33
TACR1 P25103 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR2C P28335 1/20 0.32
MCHR1 Q99705 1/20 0.32
S1PR1 P21453 1/20 0.32
MC4R P32245 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL959307 0.90 HTR7 (0.33) HTR6GRM2MLNRHTR2CMCHR1
SCHEMBL958984 0.68 SMN1; SMN2 (0.37) HTR6GAAMC4R
SCHEMBL2925004 0.58 PARP1 (0.48) GRM2ITGB1ITGA4ITGB7RXFP1
Maleic Acid SCHEMBL16458332 0.57 KDM4E (0.42)
Fumaric Acid SCHEMBL15544885 0.57 KDM4E (0.42)
SCHEMBL30108234 0.57 HTR7 (0.69) ITGB1ITGA4ITGB7MC4R
SCHEMBL15826880 0.57 HTR7 (0.69) ITGB1ITGA4ITGB7MC4R
SCHEMBL19562244 0.57 ALDH1A1 (0.52) HTR6HTR2CMC4R
SCHEMBL7608234 0.56 ADORA2A (0.43)
SCHEMBL2058741 0.56 HRH3 (0.49) TACR1

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 HTR6 3581/4885GRM2 2954/4885ITGB1 1729/4885

“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.