SCHEMBL4245359

SCHEMBL4245359

CC(C)(C)OC(=O)N1CCC(=Cc2ccc(F)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
SRD5A2 P31213 4/20 0.45
ESR2 Q92731 1/20 0.43
GRM5 P41594 3/20 0.43
GPR119 Q8TDV5 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
NR1H2 P55055 1/20 0.43
HPGDS O60760 1/20 0.41
GRM1 Q13255 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL460272 0.91 GRM5 (0.47) SMN1; SMN2ESR2GRM5GPR119MKNK1
SCHEMBL20971857 0.89 GRM5 (0.45) SRD5A2ESR2GRM5GPR119NR1H2
SCHEMBL15537145 0.88 CYP3A4 (0.50) SRD5A2ESR2GRM5MKNK1NR1H2
SCHEMBL20971740 0.88 NR1H2 (0.55) SRD5A2ESR2GRM5GPR119NR1H2
SCHEMBL5215913 0.87 ALDH1A1 (0.46) SRD5A2ESR2GRM5GPR119MEN1
SCHEMBL20971818 0.87 SRD5A2 (0.43) SMN1; SMN2SRD5A2ESR2GRM5GPR119
SCHEMBL20971831 0.86 SRD5A2 (0.42) SRD5A2ESR2GRM5GPR119NR1H2
SCHEMBL20971724 0.85 PDK2 (0.46) SRD5A2ESR2GRM5GPR119
SCHEMBL16825145 0.85 GRM5 (0.47) SMN1; SMN2SRD5A2ESR2GRM5GPR119
SCHEMBL20971751 0.84 ALDH1A1 (0.54) SRD5A2ESR2GRM5GPR119NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170901-A1 Benzoyl Urea Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2009-07-02 US disclosed
US-7435744-B2 Piperidine derivatives as NMDA receptor antagonists GEDEON RICHTER VEGYESZETI GYAR RT (HU) 2008-10-14 US disclosed
EP-1409477-B1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2008-09-17 EP disclosed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 US disclosed
EP-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 EP disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 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-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists GRIN1, GRIN2D, GRIN2C SMN1; SMN2 2793/4885SRD5A2 1135/4885ESR2 1671/4885
US-20090170901-A1 Benzoyl Urea Derivatives OPRM1, GRIN2C, GRIN3A SMN1; SMN2 3077/4885SRD5A2 614/4885ESR2 415/4885

“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.