SCHEMBL3080285

SCHEMBL3080285

CC(=O)N1CCN(CCCOc2ccc(C3CCNCC3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.57
DRD3 P35462 1/20 0.56
HRH3 Q9Y5N1 8/20 0.54
KCNH2 Q12809 5/20 0.54
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
EPHX2 P34913 1/20 0.51
SLC6A4 P31645 1/20 0.51
HRH2 P25021 3/20 0.50
HRH1 P35367 3/20 0.50
DRD2 P14416 1/20 0.50
BRD4 O60885 1/20 0.49
AR P10275 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL3061663 0.86 EPHX2 (0.54) HRH3KCNH2CYP3A4CYP2C9EPHX2
SCHEMBL25933903 0.84 HRH3 (0.66) DRD3HRH3KCNH2CYP3A4CYP2C9
SCHEMBL4672481 0.82 HRH3 (0.80) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL748867 0.81 EPHX2 (0.49) DRD3EPHX2HRH2HRH1AR
SCHEMBL3566263 0.79 AURKA (0.46) MCHR1DRD3HRH3CYP4F2CYP4A11
SCHEMBL10200150 0.79 DRD3 (0.68) DRD3HRH3CYP4F2CYP4A11EPHX2
SCHEMBL19988066 0.79 BRD4 (0.56) MCHR1DRD3HRH3KCNH2BRD4
SCHEMBL17477293 0.79 BRD4 (0.56) MCHR1DRD3HRH3KCNH2BRD4
SCHEMBL18837292 0.78 DRD3 (0.67) DRD3HRH3CYP4F2CYP4A11EPHX2
SCHEMBL12376853 0.76 MAOB (0.58) DRD3HRH3KCNH2CYP3A4CYP2C9

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
CN-102388048-B Triazolo [4,3-b] pyridazine derivatives and their uses for prostate cancer ASTRAZENECA AB 2014-07-30 CN disclosed
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D (SE) 2013-08-08 US disclosed
EP-2396333-B1 TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2013-07-03 EP disclosed
US-8258140-B2 Chemical compounds—643 ASTRAZENECA AB (SE) 2012-09-04 US disclosed
CN-102388048-A Triazolo [4,3-b] pyridazine derivatives and their uses for prostate cancer ASTRAZENECA AB 2012-03-21 CN disclosed
EP-2396333-A1 TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER AstraZeneca AB (SE) 2011-12-21 EP disclosed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 US disclosed
WO-2010092371-A1 TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2010-08-19 WO 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-20130203714-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA MCHR1 698/4885DRD3 855/4885HRH3 1705/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA MCHR1 648/4885DRD3 908/4885HRH3 1729/4885

“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.