SCHEMBL747357

SCHEMBL747357

Oc1ccc(C2(O)CCNCC2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
SIGMAR1 Q99720 1/20 0.35
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
DHFR P00374 1/20 0.33
FGFR1 P11362 1/20 0.33
OPRM1 P35372 1/20 0.32
CYP2D6 P10635 1/20 0.32
DPP4 P27487 1/20 0.32
SNCA P37840 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
QDPR P09417 1/20 0.32

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
SCHEMBL533971 0.86 DRD2 (0.59) DRD2SIGMAR1PRKAB2PRKAG1PRKAA2
Hydrochloric Acid SCHEMBL22616883 0.84 DRD2 (0.58) DRD2SIGMAR1
SCHEMBL2274203 0.81 DRD2 (0.59) DRD2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2272286 0.81 DRD2 (0.50) DRD2SIGMAR1PRKAB2PRKAG1PRKAA2
SCHEMBL2269140 0.78 DRD2 (0.48) DRD2SIGMAR1OPRM1
SCHEMBL2272062 0.78 DRD2 (0.64) DRD2
SCHEMBL654834 0.78 DRD2 (0.54) DRD2SIGMAR1OPRM1ESR1ESR2
SCHEMBL3038517 0.76 DRD2 (0.45) DRD2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3107459 0.76 DRD2 (0.47) DRD2
SCHEMBL615480 0.76 DRD2 (0.66) DRD2SIGMAR1OPRM1

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 DRD2 1236/4885SIGMAR1 518/4885PRKAB2 3196/4885

“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.