SCHEMBL2217699

SCHEMBL2217699

O=C1CCC(c2c[nH]c3ccc(Br)cc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.56
IDO1 P14902 2/20 0.56
GPR84 Q9NQS5 1/20 0.44
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
THPO P40225 1/20 0.44
APP P05067 1/20 0.42
IKBKB O14920 1/20 0.42
MAPT P10636 2/20 0.41
ADRB2 P07550 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1F P30939 1/20 0.41
NR4A2 P43354 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL6087540 0.92 IDO1 (0.56) SLC6A4IDO1GPR84HTR1DHTR1B
SCHEMBL20740534 0.88 SLC6A4 (0.69) SLC6A4IDO1GPR84HTR1DHTR1B
SCHEMBL17316303 0.84 SLC6A4 (0.62) SLC6A4IDO1GPR84HTR1DHTR1B
SCHEMBL12127411 0.83 SLC6A4 (0.60) SLC6A4IDO1GPR84HTR1DHTR1B
SCHEMBL6634183 0.82 SLC6A4 (0.56) SLC6A4IDO1GPR84HTR1DHTR1B
SCHEMBL5793597 0.82 SLC6A4 (0.56) SLC6A4IDO1HTR1BHTR2CHTR1A
SCHEMBL7459828 0.82 HTR2C (0.62) SLC6A4IDO1GPR84HTR1DHTR1B
SCHEMBL19838720 0.81 SLC6A4 (0.58) SLC6A4IDO1GPR84HTR1DHTR1B
SCHEMBL6087543 0.80 IDO1 (0.56) SLC6A4IDO1APPIKBKB
Ethylene SCHEMBL6638987 0.80 SLC6A4 (0.54) SLC6A4IDO1HTR1BHTR2CHTR1A

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
EP-2346505-A1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2011-07-27 EP disclosed
WO-2010043396-A1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-04-22 WO 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
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 43/4885IDO1 31/4885GPR84 1234/4885

“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.