SCHEMBL6635822

SCHEMBL6635822

CCn1cc(C2CCC(=O)CC2)c2cc(C#N)ccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.56
HTR1A P08908 3/20 0.52
RORC P51449 1/20 0.46
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CYP19A1 P11511 1/20 0.39
PGR P06401 3/20 0.38
SMO Q99835 1/20 0.37
PFKFB3 Q16875 2/20 0.37
KDM1A O60341 1/20 0.37
PFKFB1 P16118 1/20 0.37
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL6088807 0.93 SLC6A4 (0.54) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6637096 0.91 HTR1A (0.53) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL7972314 0.89 SLC6A4 (0.44) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6636440 0.84 SMO (0.54) SLC6A4HTR1ACNR2PTGDR2SMO
SCHEMBL6636075 0.84 SLC6A4 (0.53) SLC6A4HTR1ARORCCNR1CNR2
Ethylene SCHEMBL7478496 0.82 SLC6A4 (0.51) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6636365 0.81 DRD2 (0.51) SLC6A4CNR1CNR2CYP19A1
SCHEMBL6639951 0.81 HTR1A (0.52) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6635637 0.80 SLC6A4 (0.55) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6087259 0.78 SLC6A4 (0.62) SLC6A4HTR1ARORCCNR1CNR2

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
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
EP-1147083-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-24 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 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-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression HTR2C, TPH1, TPH2 SLC6A4 43/4885HTR1A 9/4885RORC 2398/4885

“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.