SCHEMBL1940311

SCHEMBL1940311

Oc1ccc2c(C3CCCCC3)noc2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.49
ESR1 P03372 10/20 0.47
ESR2 Q92731 10/20 0.47
HSP90AA1 P07900 2/20 0.47
GRM4 Q14833 4/20 0.47
CYP1A2 P05177 2/20 0.46
HSP90AB1 P08238 1/20 0.43
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL1940065 1.00 ACHE (0.49) ACHEESR1ESR2HSP90AA1GRM4
SCHEMBL15487431 0.85 MAPK14 (0.49) ACHEESR1ESR2HSP90AA1GRM4
SCHEMBL5189820 0.84 ACHE (0.39) ACHEESR1ESR2HSP90AA1GRM4
Hydrochloric Acid SCHEMBL15486032 0.84 MAPK14 (0.48) ACHEESR1ESR2HSP90AA1GRM4
SCHEMBL7906259 0.82 DRD2 (0.54) ACHECYP1A2DRD2SLC6A4
SCHEMBL1939183 0.81 ACHE (0.42) ACHEGRM4CYP1A2DRD2SLC6A4
SCHEMBL12026856 0.77 HIF1A (0.49) ACHEGRM4DRD2
SCHEMBL1940939 0.74 MAOB (0.46) ACHEDRD2
SCHEMBL1939532 0.74 MAOB (0.46) ACHEDRD2
SCHEMBL11224845 0.73 ESR1 (0.46) ESR1ESR2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173679-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2012-05-08 US disclosed
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2011-09-29 US disclosed
CN-101080395-B Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents THERAMEX SAM LAB 2011-08-17 CN disclosed
US-7977364-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2011-07-12 US disclosed
EP-1812404-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS THERAMEX (MC) 2011-06-15 EP disclosed
US-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERAMEX (FR) 2009-01-22 US disclosed
CN-101080395-A Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents THERAMEX (MC) 2007-11-28 CN disclosed
EP-1812404-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2007-08-01 EP disclosed
WO-2006040351-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2006-04-20 WO disclosed
EP-1647549-A1 Indazoles, benzisoxazoles and benzisothiazoles as estrogenic agents LABORATOIRE THERAMEX (MC) 2006-04-19 EP 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-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents ESR1, ESR2, GPER1 ACHE 1147/4885ESR1 1/4885ESR2 2/4885
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS ESR1, ESR2, GPER1 ACHE 1147/4885ESR1 1/4885ESR2 2/4885

“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.