SCHEMBL4003535

SCHEMBL4003535

O=C(N[C@H]1CCCNC1)C12CC3CC(C1)C(O)C(C3)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.40
CCR2 P41597 2/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.36
OPRK1 P41145 1/20 0.36
PBK Q96KB5 3/20 0.35
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EPHX2 P34913 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL4152526 0.99 EPHX1 (0.40) EPHX1CCR2GAAMAPK1OPRK1
SCHEMBL27707770 0.81 HSD11B1 (0.39) EPHX1CCR2GAAMAPK1OPRK1
SCHEMBL7719847 0.80 EPHX1 (0.51) EPHX1CCR2GAAKMT2ASMN1; SMN2
SCHEMBL7719878 0.80 EPHX1 (0.51) EPHX1CCR2GAAKMT2ASMN1; SMN2
SCHEMBL7719843 0.80 EPHX1 (0.51) EPHX1CCR2GAAKMT2ASMN1; SMN2
SCHEMBL4153131 0.80 EPHX1 (0.41) EPHX1CCR2GAAMAPK1OPRK1
SCHEMBL4003105 0.73 EPHX1 (0.46) EPHX1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL14540867 0.73 EPHX1 (0.46) EPHX1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL4794135 0.73 EPHX1 (0.46) EPHX1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL4793633 0.73 EPHX1 (0.45) EPHX1GAAKMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1931652-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2008-06-18 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2007038138-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-04-05 WO disclosed
WO-2007038138-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-04-05 WO disclosed
US-20070066584-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2007-03-22 US disclosed
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 US disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 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 (2 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-20060122197-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 EPHX1 378/4885CCR2 4476/4885GAA 515/4885
US-20070066584-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 EPHX1 378/4885CCR2 4476/4885GAA 515/4885

“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.