SCHEMBL749052

SCHEMBL749052

Oc1ccc(C2(O)CCNCC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
DRD2 P14416 2/20 0.40
ESR1 P03372 4/20 0.36
ESR2 Q92731 3/20 0.36
USP7 Q93009 1/20 0.36
DRD1 P21728 1/20 0.36
DPP4 P27487 1/20 0.35
OPRM1 P35372 4/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33

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
SCHEMBL1513363 0.84 SIGMAR1 (0.46) SIGMAR1DRD2DPP4PRKAB2PRKAG1
SCHEMBL1513458 0.81 DRD2 (0.54) SIGMAR1DRD2PRKAB2PRKAG1PRKAA2
SCHEMBL30232423 0.81 DRD2 (0.54) SIGMAR1DRD2PRKAB2PRKAG1PRKAA2
Hydrochloric Acid SCHEMBL29995041 0.80 DRD2 (0.53) SIGMAR1DRD2PRKAB2PRKAG1PRKAA2
SCHEMBL750271 0.79 SIGMAR1 (0.45) SIGMAR1DRD2ESR1ESR2DRD1
SCHEMBL615903 0.77 SIGMAR1 (0.57) SIGMAR1DRD2OPRM1OPRD1OPRK1
SCHEMBL7510607 0.75 DRD2 (0.46) SIGMAR1DRD2DPP4OPRM1OPRD1
SCHEMBL3108178 0.75 CCNT1 (0.40) SIGMAR1DRD2DPP4
Ethyne SCHEMBL27599449 0.74 SIGMAR1 (0.54) SIGMAR1DRD2OPRM1OPRD1OPRK1
SCHEMBL2271940 0.71 SIGMAR1 (0.44) SIGMAR1DRD2DPP4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102482280-A [1,2,4] triazolo [4,3-b ] pyridazines as ligands for androgen receptors ASTRAZENECA AB 2012-05-30 CN disclosed
EP-2430024-A1 [1,2,4]TRIAZOLO [4,3-B]PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR AstraZeneca AB (SE) 2012-03-21 EP disclosed
WO-2010131022-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 US 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 (1 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-20100292222-A1 CHEMICAL COMPOUNDS 751 AR, NR5A1, KLK3 SIGMAR1 518/4885DRD2 1236/4885ESR1 23/4885

“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.