SCHEMBL1939733

SCHEMBL1939733

c1cc2c(C3CCCCC3)noc2cc1OCCN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.61
DRD2 P14416 5/20 0.61
HTR2A P28223 5/20 0.61
HRH3 Q9Y5N1 5/20 0.61
KCNH2 Q12809 3/20 0.61
HTR2C P28335 1/20 0.61
ADRA1A P35348 1/20 0.61
HRH1 P35367 1/20 0.61
DRD3 P35462 1/20 0.61
HTR6 P50406 1/20 0.61
ACHE P22303 2/20 0.60

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
SCHEMBL1940939 0.77 MAOB (0.46) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL1939532 0.77 MAOB (0.46) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL28774560 0.77 HTR1A (1.00) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL28774558 0.77 HTR1A (1.00) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL1799541 0.76 MAOB (0.70) HRH3ACHE
SCHEMBL7979981 0.75 KCNH2 (0.66) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL7974088 0.75 KCNH2 (0.66) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL28774561 0.75 HTR1A (1.00) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL1801993 0.75 MAOB (0.68) HRH3ACHE
SCHEMBL7351897 0.74 ACHE (0.91) HTR1ADRD2HTR2AHRH3KCNH2

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
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
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
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 HTR1A 495/4885DRD2 2247/4885HTR2A 948/4885
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS ESR1, ESR2, GPER1 HTR1A 495/4885DRD2 2247/4885HTR2A 948/4885

“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.