SCHEMBL3498759

SCHEMBL3498759

C[C@@H]1CCCN1Cc1coc(-c2ccc(Cn3ncc4cc(F)ccc43)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
MAP4K4 O95819 1/20 0.39
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MLLT1 Q03111 5/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 1/20 0.35
KMT2A Q03164 1/20 0.35
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34

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
SCHEMBL3497993 1.00 HRH3 (0.39) HRH3MAP4K4ABCB1ABCC1HTR2A
SCHEMBL3498749 0.93 BRD4 (0.39) HRH3MAP4K4ABCB1ABCC1HTR2A
SCHEMBL3496267 0.93 BRD4 (0.39) HRH3MAP4K4ABCB1ABCC1HTR2A
SCHEMBL3496891 0.87 RECQL (0.44) HRH3DRD2DRD4DRD3ALDH1A1
SCHEMBL3496126 0.87 RECQL (0.44) HRH3DRD2DRD4DRD3ALDH1A1
SCHEMBL3498719 0.84 DRD2 (0.47) HRH3ABCB1ABCC1HTR2AHTR2C
SCHEMBL3495316 0.77 DRD2 (0.47) HRH3ABCB1ABCC1HTR2AHTR2C
SCHEMBL23644638 0.75 KMT2A (0.57) HRH3DRD2DRD4DRD3ALDH1A1
SCHEMBL3497157 0.75 PDE4B (0.40) HPGDALDH1A1
SCHEMBL3589973 0.74 KMT2A (0.45) HRH3ABCB1DRD2DRD4DRD3

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
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US claimed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US claimed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 HRH3 2/4885MAP4K4 2170/4885ABCB1 520/4885

“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.