SCHEMBL2998103

SCHEMBL2998103

O=C1O[C@@H](Cc2ccccc2)CN1CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.52
P2RX7 Q99572 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCKBR P32239 3/20 0.38
OPRK1 P41145 1/20 0.37
EPHX2 P34913 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2998105 1.00 GRM2 (0.52) GRM2P2RX7MEN1KMT2ACCKBR
SCHEMBL3004949 0.79 FADS1 (0.46) GRM2P2RX7MEN1KMT2ACCKBR
SCHEMBL3004946 0.79 FADS1 (0.46) GRM2P2RX7MEN1KMT2ACCKBR
SCHEMBL3005148 0.79 FADS1 (0.46) GRM2P2RX7MEN1KMT2ACCKBR
SCHEMBL3010836 0.78 EPHX2 (0.35) P2RX7MEN1KMT2AEPHX2MAPK1
SCHEMBL3010832 0.78 EPHX2 (0.35) P2RX7MEN1KMT2AEPHX2MAPK1
SCHEMBL11744593 0.78 GRM2 (0.63) GRM2MAPK1L3MBTL1TSHRHPGD
SCHEMBL7606625 0.76 GRM2 (0.61) GRM2MAPK1L3MBTL1TSHR
SCHEMBL3002776 0.75 MEN1 (0.35) MEN1KMT2ACCKBROPRK1EPHX2
SCHEMBL3002773 0.75 MEN1 (0.35) MEN1KMT2ACCKBROPRK1EPHX2

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
US-8835426-B2 Cyclic urea and carbamate inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-16 US disclosed
EP-2125750-B1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-05-21 EP disclosed
US-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-08-05 US disclosed
EP-2125750-A2 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
WO-2008106128-A2 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-09-04 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-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 GRM2 4003/4885P2RX7 4523/4885MEN1 938/4885

“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.