SCHEMBL5115611

SCHEMBL5115611

COc1ccc2c(c1)CCN(CCc1ccccc1)C2Cc1ccc(OCCC2CCCCN2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.46
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
BCHE P06276 3/20 0.42
ACHE P22303 3/20 0.42
HCRTR1 O43613 1/20 0.41
LTA4H P09960 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 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
SCHEMBL5104652 0.91 ESR1 (0.49) TBXA2RGRIN1GRIN2BLTA4HDRD2
SCHEMBL5105038 0.90 BCHE (0.42) BCHEACHEDRD2DRD1DRD4
SCHEMBL5108584 0.87 ESR1 (0.46) BCHEACHELTA4HDRD2DRD1
SCHEMBL5108482 0.87 KMT2A (0.51) BCHEACHEDRD2DRD1DRD4
SCHEMBL5104688 0.84 GRIN2C (0.51)
SCHEMBL5115614 0.84 LTA4H (0.53) TBXA2RGRIN1GRIN2BLTA4H
SCHEMBL5103000 0.83 BCHE (0.41) BCHEACHEDRD2DRD1DRD4
SCHEMBL5106207 0.83 ESR1 (0.44) GRIN1GRIN2BBCHEACHE
SCHEMBL5105034 0.83 BCHE (0.41) BCHEACHELTA4HDRD2DRD1
SCHEMBL5102397 0.83 BCHE (0.42) BCHEACHEDRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435729-B2 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-14 US disclosed
US-7279489-B2 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, LLC (US) 2007-10-09 US disclosed
US-20050004360-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2005-01-06 US disclosed
US-20040082575-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6686351-B2 PARTIALLY HYDROGENATED FUSED INDENE, NAPHTHALENE, ISOINDOLE, ISOQUINOLINE, BENZOAZEPINE AND BENZOCYCLOHEPTENE DERIVATIVES SUBSTITUTED BY A HYDROXY GROUP OR DERIVATIVE AND AN ARYL OR N-HETEROARYL GROUP SIGNAL PHARMACEUTICALS, INC. 2004-02-03 US disclosed
US-6593322-B1 Methods are disclosed for modulating ER- beta in cell and/or tissues expressing the same, including cells and/ or tissue that preferentially ER- beta . Methods for treating estrogen-related conditions are also disclosed, including SIGNAL PHARMACEUTICALS, INC. 2003-07-15 US disclosed
EP-1322617-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-07-02 EP disclosed
US-20030087901-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2003-05-08 US disclosed
US-6436923-B1 ESTROGEN ANTAGONISTS AND/OR AGONISTS FOR TREATING ESTROGEN-RELATED CONDITIONS SIGNAL PHARMACEUTICALS, INC. 2002-08-20 US disclosed
WO-2002024653-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-03-28 WO disclosed
EP-1163225-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2001-12-19 EP disclosed
WO-2000055137-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2000-09-21 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 (3 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-20050004360-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESR2, ESRRA TBXA2R 1920/4885GRIN1 2882/4885GRIN2B 2127/4885
US-20030087901-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 TBXA2R 2166/4885GRIN1 2874/4885GRIN2B 2725/4885
US-20040082575-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 TBXA2R 1884/4885GRIN1 3060/4885GRIN2B 3073/4885

“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.