SCHEMBL6637087

SCHEMBL6637087

COc1cc(N2CCN(Cc3ccccc3)CC2)c2nc(C)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.53
HTR1A P08908 3/20 0.52
SIGMAR1 Q99720 2/20 0.51
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL3924932 0.84 HTR1A (0.58) HTR1ASIGMAR1DRD4DRD2DRD3
SCHEMBL6638117 0.82 HTR1A (0.53) NCF1HTR1ASIGMAR1DRD4DRD2
SCHEMBL6640750 0.78 HTR1A (0.49) NCF1HTR1ASIGMAR1DRD4DRD2
SCHEMBL6635859 0.77 HTR1A (0.53) NCF1HTR1ASIGMAR1HTR1DHTR1B
SCHEMBL3559925 0.75 HTR1A (0.72) HTR1AALDH1A1KDM4E
SCHEMBL8634931 0.75 NCF1 (0.61) NCF1SIGMAR1DRD4DRD2DRD3
SCHEMBL27503122 0.73 SIGMAR1 (0.62) SIGMAR1DRD4DRD2DRD3ALDH1A1
SCHEMBL5537682 0.73 NCF1 (0.80) NCF1HTR1ASIGMAR1MAPTLMNA
SCHEMBL6637909 0.71 DRD4 (0.65) NCF1SIGMAR1DRD4DRD2DRD3
SCHEMBL7468042 0.71 SIGMAR1 (0.58) SIGMAR1ALDH1A1MAPTLMNAHSD17B10

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 NCF1 1882/4885HTR1A 9/4885SIGMAR1 118/4885

“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.