SCHEMBL3497666

SCHEMBL3497666

CC1CCN(Cc2coc(-c3ccc(-n4cnc5ccccc54)cc3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 3/20 0.47
HTT P42858 5/20 0.42
HRH3 Q9Y5N1 2/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
PPP1CA P62136 1/20 0.41
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTK2B Q14289 1/20 0.40
FGFR1 P11362 1/20 0.39

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
SCHEMBL3496688 0.89 DRD2 (0.52) DRD2DRD4DRD3HTTHRH3
SCHEMBL3497821 0.89 KMT2A (0.42) DRD2DRD4DRD3HTTHRH3
SCHEMBL3498104 0.88 DRD2 (0.52) DRD2DRD4DRD3HTTHRH3
SCHEMBL3497831 0.88 HRH3 (0.53) DRD2DRD4DRD3HTTHRH3
SCHEMBL3496730 0.87 DRD2 (0.53) DRD2DRD4DRD3HTTHRH3
SCHEMBL3496620 0.85 DRD2 (0.51) DRD2DRD4DRD3HTTHRH3
SCHEMBL3496393 0.85 HTT (0.41) DRD2DRD4DRD3HTTHRH3
SCHEMBL3496673 0.84 KMT2A (0.40) DRD2DRD4DRD3HTTHRH3
SCHEMBL3497251 0.79 SPHK1 (0.40) DRD2DRD4DRD3HTTHRH3
SCHEMBL3497016 0.79 HTT (0.49) HTTMAPTKMT2ANPSR1CYP1A2

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
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US claimed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP claimed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US claimed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO claimed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO 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 DRD2 419/4885DRD4 1020/4885DRD3 224/4885

“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.