SCHEMBL6663048

SCHEMBL6663048

c1ccc(CNCc2cc(N3CCN(Cc4ccccc4)CC3)c3ncccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.47
HTR3B O95264 2/20 0.47
HTR3A P46098 2/20 0.47
HTR3D Q70Z44 2/20 0.47
HTR3C Q8WXA8 2/20 0.47
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 0.47
KMT2A Q03164 2/20 0.45
NCF1 P14598 1/20 0.45
HSD11B1 P28845 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
ACHE P22303 3/20 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
SCHEMBL6637537 0.82 HTR1A (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14266792 0.82 USP2 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6637562 0.80 DRD2 (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3924932 0.80 HTR1A (0.58) HTR1ADRD2DRD4DRD3ALDH1A1
SCHEMBL6663044 0.77 HTR3E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6663053 0.77 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3559925 0.71 HTR1A (0.72) HTR1AALDH1A1
SCHEMBL3583703 0.71 BCL2L1 (0.53) HTR1AHTR2CKMT2ADRD2DRD4
SCHEMBL2222747 0.70 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6635048 0.69 MAPT (0.54) HTR1AKMT2ANCF1USP2TP53

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 HTR3E 18/4885HTR3B 5/4885HTR3A 6/4885

“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.