SCHEMBL6635626

SCHEMBL6635626

COc1ccc2[nH]cc(C3=CCC4(CC3)OCCO4)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
HTR1D P28221 1/20 0.58
HTR2C P28335 1/20 0.58
MAPK1 P28482 1/20 0.58
BRCA1 P38398 1/20 0.58
HTR6 P50406 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SLC6A4 P31645 2/20 0.56
HTR1A P08908 10/20 0.50
DRD2 P14416 10/20 0.50
HTR2A P28223 2/20 0.48
DRD1 P21728 1/20 0.44
DRD3 P35462 1/20 0.44
KDR P35968 1/20 0.43

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
SCHEMBL6638237 0.82 SLC6A4 (0.52) ALDH1A1CYP1A2HTR6SLC6A4HTR1A
SCHEMBL6636906 0.82 SLC6A4 (0.52) HTR2CHTR6SLC6A4HTR1ADRD2
SCHEMBL6636321 0.82 SLC6A4 (0.52) KDM4EALDH1A1MAPTHTR6SLC6A4
SCHEMBL6640340 0.80 HTR6 (0.59) HTR6SLC6A4HTR1A
SCHEMBL6634925 0.79 DRD2 (0.51) KDM4EALDH1A1MAPTHTR2CHTR6
SCHEMBL22857362 0.78 SUV39H2 (0.46) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL12367428 0.78 SLC6A4 (0.43) KDM4EMEN1MAPTHTR6KMT2A
SCHEMBL22857391 0.77 SUV39H2 (0.39) ALDH1A1KMT2A
SCHEMBL20103465 0.77 BACE1 (0.39) KDM4EALDH1A1KMT2AHSD17B10
SCHEMBL6637690 0.75 TDO2 (0.48) SLC6A4HTR1A

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 KDM4E 1582/4885MEN1 1851/4885ALDH1A1 3101/4885

“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.