SCHEMBL5793597

SCHEMBL5793597

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.56
HTR1A P08908 4/20 0.56
HTR2A P28223 3/20 0.56
DRD1 P21728 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR1B P28222 1/20 0.56
SLC6A3 Q01959 1/20 0.56
IDO1 P14902 3/20 0.56
CYP2C19 P33261 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
OPRM1 P35372 1/20 0.55
OPRK1 P41145 1/20 0.55
OPRL1 P41146 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
HSD11B1 P28845 1/20 0.52
DRD2 P14416 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51

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
Ethylene SCHEMBL6638987 0.97 SLC6A4 (0.54) SLC6A4HTR1AHTR2ADRD1SLC6A2
SCHEMBL6090803 0.92 IDO1 (0.56) SLC6A4HTR1AHTR2ADRD1SLC6A2
SCHEMBL6088026 0.92 IDO1 (0.56) SLC6A4HTR1AHTR2ADRD1SLC6A2
SCHEMBL3886137 0.92 IDO1 (0.56) SLC6A4HTR1AHTR2ADRD1SLC6A2
SCHEMBL6636763 0.88 DRD2 (0.57) SLC6A4HTR1AHTR2ADRD1SLC6A2
Ethylene SCHEMBL7483250 0.86 DRD2 (0.55) SLC6A4HTR1AHTR2ADRD1SLC6A2
SCHEMBL2217699 0.82 SLC6A4 (0.56) SLC6A4HTR1AHTR2AHTR1BIDO1
SCHEMBL6634183 0.82 SLC6A4 (0.56) SLC6A4HTR1AHTR1BIDO1OPRM1
SCHEMBL2781509 0.82 HTR2C (0.62) SLC6A4HTR1AHTR2ADRD1SLC6A2
SCHEMBL7841722 0.82 HTR1D (0.45) SLC6A4HTR1AHTR1BIDO1OPRM1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 EP disclosed
US-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives WYETH (US) 2005-02-10 US disclosed
WO-2005012291-A1 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES WYETH (US) 2005-02-10 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
EP-1140919-B1 1,4-DISUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2002-09-04 EP disclosed
EP-1068184-B1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2002-09-04 EP disclosed
EP-1228064-A1 N-ARYL-(HOMOPIPERAZINYL)-CYCLOHEXYL AMINES AS 5-HT TRANSPORTERS Wyeth (US) 2002-08-07 EP disclosed
EP-1228065-A1 (INDOL-3-YL)-CYCLOALKYL]-3-SUBSTITUTED AZETIDINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Wyeth (US) 2002-08-07 EP disclosed
US-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-18 US disclosed
WO-2001034598-A1 [(INDOL-3-YL)-CYCLOALKYL]-3-SUBSTITUTED AZETIDINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WYETH (US) 2001-05-17 WO disclosed
US-6200994-B1 HT3 RECEPTOR ANTAGONISTS, ANTISEROTONINE AGENTS; ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORP 2001-03-13 US disclosed
EP-1070063-A1 INDOL-3-YL-CYCLOHEXYL AMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION (5-HT1 RECEPTOR ANTAGONISTS) AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-24 EP disclosed
EP-1068184-A1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-17 EP disclosed
US-6162803-A Indol-3-yl-cyclohexyl amine derivatives for the treatment of depression AMERICAN HOME PRODUCTS CORP. (US) 2000-12-19 US disclosed
US-6110956-A ANTIDEPRESSANTS TREATING DISORDERS OF THE SEROTONIN-AFFECTED NEUROLOGICAL SYSTEMS AMERICAN HOME PRODUCTS CORP. (US) 2000-08-29 US disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed
WO-2000040579-A1 NEW 1,4-DISUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed
WO-1999051592-A1 INDOL-3-YL-CYCLOHEXYL AMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION (5-HT1 RECEPTOR ANTAGONISTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed
WO-1999051576-A1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 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 (2 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-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives TPH2, HTR2C, HTR7 SLC6A4 32/4885HTR1A 11/4885HTR2A 9/4885
US-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression HTR2C, TPH1, TPH2 SLC6A4 43/4885HTR1A 9/4885HTR2A 8/4885

“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.