SCHEMBL3498575

SCHEMBL3498575

c1ccc2c(c1)ncn2Cc1ccc(-c2nc(CN3CCCCC3)cs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.55
CYP11B2 P19099 5/20 0.55
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
HTT P42858 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KCNH2 Q12809 3/20 0.50
SCN9A Q15858 3/20 0.50
TNF P01375 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 3/20 0.49
ENPP2 Q13822 1/20 0.45
ACKR3 P25106 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43

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
SCHEMBL3497179 1.00 CYP11B1 (0.55) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL3497024 0.99 CYP11B1 (0.56) CYP11B1CYP11B2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL3496569 0.98 CYP11B1 (0.55) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL3494770 0.85 CYP11B1 (0.61) CYP11B1CYP11B2HTTSMN1; SMN2TNF
Hydrochloric Acid SCHEMBL3496719 0.83 CYP11B1 (0.59) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL3497673 0.82 CYP11B1 (0.49) CYP11B1CYP11B2HTTSMN1; SMN2KCNH2
SCHEMBL3496245 0.81 DRD2 (0.55) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL3495975 0.81 DRD2 (0.55) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL3188150 0.80 DRD2 (0.56) CYP11B1CYP11B2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL3495879 0.79 DRD2 (0.55) CYP11B1CYP11B2DRD2DRD4DRD3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CYP11B1 2926/4885CYP11B2 2281/4885DRD2 419/4885

“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.