SCHEMBL3264403

SCHEMBL3264403

O=C1CCCC1c1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HTR2C P28335 5/20 0.50
ADRB2 P07550 1/20 0.50
PDE4D Q08499 1/20 0.50
HTR2A P28223 3/20 0.47
HTR2B P41595 3/20 0.47
KDM4E B2RXH2 1/20 0.45
BRD4 O60885 1/20 0.45
POLB P06746 1/20 0.45
CREBBP Q92793 1/20 0.45

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
SCHEMBL3613788 0.95 IDO1 (0.55) IDO1LMNAALDH1A1GAAMAPT
SCHEMBL29671027 0.95 IDO1 (0.55) IDO1LMNAALDH1A1GAAMAPT
SCHEMBL19760706 0.90 IDO1 (0.59) IDO1LMNAALDH1A1GAAMAPT
SCHEMBL29611992 0.90 IDO1 (0.59) IDO1LMNAALDH1A1GAAMAPT
SCHEMBL28104371 0.85 IDO1 (0.54) IDO1LMNAALDH1A1GAAMAPT
SCHEMBL1047831 0.81 ALDH1A1 (0.66) IDO1LMNAALDH1A1GAAMAPT
SCHEMBL27825820 0.80 IDO1 (0.58) IDO1LMNAALDH1A1GAAMAPT
SCHEMBL3262533 0.80 IDO1 (0.51) IDO1LMNAALDH1A1GAAMAPT
SCHEMBL3263494 0.78 IDO1 (0.52) IDO1LMNAALDH1A1GAAMAPT
SCHEMBL3239353 0.78 IDO1 (0.52) IDO1LMNAALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108864080-B Tetracyclic compounds as selective estrogen receptor down-regulating agents and application thereof 南京圣和药业股份有限公司 2021-10-15 CN disclosed
WO-2010015587-A1 5-BENZYL-1,2,3,6-TETRAHYDRO-4,6-DIAZA-CYCLOPENTA[C]FLUORENE COMPOUNDS AND 5-BENZYL-1,2,3,6-TETRAHYDRO-4,6-DIAZA-CYCLOHEPTA[C]FLUORENE COMPOUNDS NYCOMED GMBH (DE) 2010-02-11 WO disclosed
US-7488751-B2 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2009-02-10 US disclosed
US-20080139637-A1 Catalyzed Reaction for Forming Indole-Based Compounds and Their Application in Anticancer Agents NATIONAL TAIWAN NORMAL UNIVERSITY (TW) 2008-06-12 US disclosed
US-20060160881-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2006-07-20 US disclosed
US-20060148881-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-Benzodioxan WYETH (US) 2006-07-06 US disclosed
US-7041697-B2 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2006-05-09 US disclosed
EP-1546151-B1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH CORP (US) 2006-04-12 EP disclosed
US-6911445-B2 For reatment of depression, childhood depression, dysthymia, anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder, attention deficit disorder, obsessive-compulsive disorder, cocaine and alcohol addiction WYETH (US) 2005-06-28 US disclosed
EP-1537103-A1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATES OF 2,3-DIHYDRO-1,4-BENZODIOXAN Wyeth (US) 2005-06-08 EP disclosed
US-20040171667-A1 Antidepressant cycloalkylamine derivatives of heterocycle-fused benzodioxans WYETH 2004-09-02 US disclosed
US-20040127543-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan WYETH 2004-07-01 US disclosed
WO-2004024723-A1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF 2,3-DIHYDRO-1,4-BENZODIOXAN WYETH (US) 2004-03-25 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 (5 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-20060160881-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan HTR5A, OPRD1, DRD2 IDO1 1320/4885LMNA 1619/4885ALDH1A1 273/4885
US-20080139637-A1 Catalyzed Reaction for Forming Indole-Based Compounds and Their Application in Anticancer Agents IDO1, IDO2, HCCS IDO1 1/4885LMNA 3467/4885ALDH1A1 35/4885
US-20040127543-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan HTR5A, OPRD1, TAAR5 IDO1 835/4885LMNA 1839/4885ALDH1A1 271/4885
US-20060148881-A1 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-Benzodioxan HTR5A, OPRD1, DRD2 IDO1 1320/4885LMNA 1619/4885ALDH1A1 273/4885
US-20040171667-A1 Antidepressant cycloalkylamine derivatives of heterocycle-fused benzodioxans HTR5A, CRH, TPH1 IDO1 1805/4885LMNA 1501/4885ALDH1A1 664/4885

“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.