SCHEMBL6294496

SCHEMBL6294496

CN(C)CC1CCC(=O)C=C1c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.36
MITF O75030 1/20 0.36
MCHR1 Q99705 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CCR6 P51684 2/20 0.35
CRBN Q96SW2 3/20 0.34
DDB1 Q16531 1/20 0.34
METAP1 P53582 3/20 0.33
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6297665 0.86 HSP90AA1 (0.35) HSP90AA1MITFADRA2AADRA2BADRA2C
SCHEMBL6293028 0.85 METAP1 (0.41) HSP90AA1MITFADRA2AADRA2BADRA2C
SCHEMBL6297680 0.85 METAP1 (0.36) HSP90AA1MITFMCHR1ADRA2AADRA2B
SCHEMBL6294319 0.85 HSP90AA1 (0.36) HSP90AA1MITFADRA2AADRA2BADRA2C
SCHEMBL6297691 0.84 METAP1 (0.45) HSP90AA1MITFMCHR1CCR6METAP1
SCHEMBL6294523 0.84 HSP90AA1 (0.40) HSP90AA1MITFADRA2AADRA2BADRA2C
SCHEMBL6294309 0.79 SLC6A3 (0.40) HSP90AA1CCR6METAP1
SCHEMBL6293251 0.77 METAP1 (0.38) HSP90AA1MITFADRA2AADRA2BADRA2C
SCHEMBL6293299 0.77 METAP1 (0.46) HSP90AA1CCR6METAP1
SCHEMBL6298674 0.76 ADRA2A (0.41) HSP90AA1MITFADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890959-B2 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2005-05-10 US claimed
EP-1246791-B1 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-10-27 EP claimed
US-20030096811-A1 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2003-05-22 US claimed
EP-1246791-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2002-10-09 EP claimed
WO-2001049651-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2001-07-12 WO claimed
US-6890959-B2 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2005-05-10 US disclosed
EP-1246791-B1 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-10-27 EP disclosed
US-20030096811-A1 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2003-05-22 US disclosed
EP-1246791-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2002-10-09 EP disclosed
WO-2001049651-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2001-07-12 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-20030096811-A1 Aminomethyl-phenyl-cyclohexanone derivatives CYP2J2, CYP2E1, CYP2D6 HSP90AA1 1369/4885MITF 2414/4885MCHR1 3336/4885

“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.