SCHEMBL3497458

SCHEMBL3497458

Cn1c(-c2ccc(-c3nc(CN4CCCC4)co3)cc2)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 5/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
HSD17B10 Q99714 3/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
HRH3 Q9Y5N1 2/20 0.53
DRD2 P14416 3/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52
PKM P14618 3/20 0.48
TP53 P04637 2/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL3498561 0.99 ALDH1A1 (0.55) ALDH1A1KDM4ERAB9ANPC1HSD17B10
SCHEMBL3496160 0.85 DRD2 (0.51) ALDH1A1KDM4ERAB9ANPC1HSD17B10
SCHEMBL3496157 0.83 DRD2 (0.60) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL3495307 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ERAB9ANPC1HSD17B10
SCHEMBL3497133 0.82 DRD2 (0.58) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL3496467 0.82 DRD2 (0.58) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL3496085 0.81 PRKACA (0.48) HRH3DRD2DRD4DRD3MEN1
SCHEMBL3498756 0.81 HRH3 (0.48) ALDH1A1KDM4ERAB9ANPC1HSD17B10
SCHEMBL3498632 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ERAB9ANPC1HSD17B10
SCHEMBL3496688 0.79 DRD2 (0.52) ALDH1A1KDM4ERAB9ASMN1; SMN2CYP1A2

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 ALDH1A1 1047/4885KDM4E 2778/4885RAB9A 1396/4885

“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.