SCHEMBL3496472

SCHEMBL3496472

CN(C)Cc1coc(-c2ccc(Cn3cnc4ccccc43)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.55
CYP11B2 P19099 8/20 0.55
HTT P42858 4/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 2/20 0.50
TNF P01375 1/20 0.50
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PKM P14618 1/20 0.42
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
EDNRA P25101 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL3497153 0.92 CYP11B1 (0.53) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3498617 0.90 CYP11B1 (0.54) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3496693 0.86 CYP11B1 (0.60) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3496132 0.85 CYP11B1 (0.59) CYP11B1CYP11B2HTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3494289 0.84 CYP11B1 (0.57) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3497006 0.82 HTT (0.47) HTTSMN1; SMN2NPSR1ALDH1A1KMT2A
SCHEMBL3188150 0.82 DRD2 (0.56) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3496503 0.81 DRD2 (0.56) CYP11B1CYP11B2HTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3495879 0.81 DRD2 (0.55) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3495975 0.81 DRD2 (0.55) CYP11B1CYP11B2HTTLMNASMN1; SMN2

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
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO 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
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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 (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 CYP11B1 2926/4885CYP11B2 2281/4885HTT 775/4885

“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.