SCHEMBL1941007

SCHEMBL1941007

c1ccc(COc2ccc3c(C4CCCC4)nn(CCN4CCCCC4)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.48
BCHE P06276 3/20 0.48
CNR1 P21554 3/20 0.48
LTA4H P09960 1/20 0.48
HTR7 P34969 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
MCHR1 Q99705 3/20 0.45
KCNH2 Q12809 2/20 0.45
CYP3A4 P08684 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MCHR2 Q969V1 1/20 0.44
EGFR P00533 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPY1R P25929 1/20 0.44
HTT P42858 1/20 0.44
BACE1 P56817 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
SCHEMBL1942089 0.87 CNR2 (0.45) CNR2CNR1HRH3NPC1RAB9A
SCHEMBL1941016 0.86 CNR1 (0.46) CNR2CNR1HRH3NPC1RAB9A
SCHEMBL1939994 0.84 HTR3A (0.53) CNR2CNR1HTR7HRH3MCHR1
SCHEMBL1940935 0.81 CA12 (0.44) CNR2CNR1HRH3NPC1RAB9A
SCHEMBL1939820 0.80 ACHE (0.41) CNR2BCHECNR1
SCHEMBL1940429 0.80 KHK (0.47) HRH3MCHR1KCNH2SMN1; SMN2KDM4E
SCHEMBL1939452 0.78 HRH3 (0.43) HRH3
SCHEMBL1940284 0.78 HRH3 (0.43) HRH3
SCHEMBL1939148 0.71 SLC22A12 (0.49) CNR2
SCHEMBL1941346 0.70 ABL1 (0.47) HRH3SMN1; SMN2ALDH1A1

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 6 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-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 CNR2 527/4885BCHE 908/4885CNR1 353/4885
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS ESR1, ESR2, GPER1 CNR2 527/4885BCHE 908/4885CNR1 353/4885

“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.