SCHEMBL6636331

SCHEMBL6636331

Brc1cc(N2CCNCC2)c2ncccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.67
HTR2C P28335 1/20 0.67
SLC6A4 P31645 1/20 0.67
HTR1A P08908 3/20 0.54
NCF1 P14598 3/20 0.47
HTR6 P50406 3/20 0.45
HTR7 P34969 3/20 0.45
DRD2 P14416 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 2/20 0.43
PLD1 Q13393 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42

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
SCHEMBL3561450 0.84 SLC6A4 (0.68) HTR2AHTR2CSLC6A4HTR1ANCF1
SCHEMBL4143098 0.83 HTR2A (0.67) HTR2AHTR2CSLC6A4HTR1ANCF1
SCHEMBL3557055 0.83 HTR2A (0.67) HTR2AHTR2CSLC6A4HTR1ANCF1
SCHEMBL4884479 0.83 HTR2A (0.67) HTR2AHTR2CSLC6A4HTR1ANCF1
SCHEMBL31316087 0.81 HTR1A (0.52) HTR2AHTR2CSLC6A4HTR1AADRB2
SCHEMBL26646337 0.81 HTR1A (0.52) HTR2AHTR2CSLC6A4HTR1AADRB2
SCHEMBL1045944 0.80 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR1ANCF1
SCHEMBL3555203 0.80 HTR2A (0.62) HTR2AHTR2CSLC6A4HTR1ANCF1
SCHEMBL6637239 0.80 HTR2A (0.62) HTR2AHTR2CSLC6A4HTR1ANCF1
SCHEMBL4140105 0.80 HTR2A (0.62) HTR2AHTR2CSLC6A4HTR1ANCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1166636-C Arylpiperazinyl-cyclohexylindole derivatives for the treatment of depression 2004-09-15 CN disclosed
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
CN-1336916-A Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression AMERICAN HOME PROD (US) 2002-02-20 CN 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 HTR2A 8/4885HTR2C 1/4885SLC6A4 43/4885

“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.