SCHEMBL6636788

SCHEMBL6636788

CC(C)(C)N1CCN(c2nccc3ccccc23)CC1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.51
HCAR2 Q8TDS4 1/20 0.46
DPP4 P27487 3/20 0.46
DPP7 Q9UHL4 1/20 0.46
HTR2C P28335 1/20 0.45
SORD Q00796 2/20 0.45
ACACB O00763 1/20 0.42
PHGDH O43175 1/20 0.41
MALT1 Q9UDY8 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL7841920 0.78 HRH4 (0.52) HRH4HCAR2DPP4DPP7HTR2C
SCHEMBL6637886 0.76 TRPV1 (0.42) DRD2
SCHEMBL1255986 0.71 ACHE (0.59) HRH4HCAR2HTR2CSORDPHGDH
SCHEMBL30614541 0.70 HRH4 (0.56) HRH4DPP4DPP7HTR2CSORD
SCHEMBL17844938 0.70 HRH4 (0.50) HRH4HCAR2DPP4DPP7HTR2C
SCHEMBL17844940 0.70 HRH4 (0.50) HRH4HCAR2DPP4DPP7HTR2C
SCHEMBL17845012 0.70 HRH4 (0.47) HRH4HCAR2DPP4DPP7HTR2C
SCHEMBL17865144 0.69 HRH4 (0.46) HRH4HCAR2DPP4DPP7HTR2C
SCHEMBL17845011 0.69 DRD2 (0.45) HRH4HCAR2DPP4DPP7HTR2C
SCHEMBL1728813 0.69 SIRT2 (0.51) HRH4HCAR2DPP4DPP7HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147083-B1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-06-16 EP disclosed
US-6465482-B2 ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; SEROTONIN-AFFECTED NERVOUS SYSTEM DISORDERS; ACTING AT THE 5-HT1A AUTORECEPTORS CONCOMMITANTLY WITH 5-HT TRANSPORTERS; ANTISEROTONIN AGENTS; SEROTONIN REUPTAKE INHIBITORS; HT3 RECEPTOR ANTAGONISTS WYETH 2002-10-15 US disclosed
US-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-18 US disclosed
US-6313126-B1 FOR THRERAPY OF DISORDERS ASSOCIATED WITH DYSFUNCTION IN SEROTONERGIC NEUROTRANSMISSION, INCLUDING DEPRESSION AND ANXIETY AMERICAN HOME PRODUCTS CORP 2001-11-06 US 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-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression HTR2C, TPH1, TPH2 HRH4 69/4885HCAR2 307/4885DPP4 1502/4885

“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.