SCHEMBL3497690

SCHEMBL3497690

Cc1ccc2c(c1)ncn2Cc1ccc(-c2nc(CN3CCC[C@@H]3C)co2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 8/20 0.39
LMNA P02545 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EP300 Q09472 1/20 0.36
CREBBP Q92793 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
KCNH2 Q12809 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL3496123 0.93 KMT2A (0.41) BRD4KMT2AHRH3LMNACYP11B1
SCHEMBL3497349 0.89 QPCT (0.43) BRD4HRH3KCNH2
SCHEMBL3498078 0.89 QPCT (0.43) BRD4HRH3KCNH2
SCHEMBL3495753 0.88 CYP11B1 (0.47) HRH3LMNACYP11B1CYP11B2HTT
SCHEMBL3496672 0.88 CYP11B1 (0.47) HRH3LMNACYP11B1CYP11B2HTT
SCHEMBL3497795 0.88 CYP11B1 (0.47) HRH3LMNACYP11B1CYP11B2HTT
SCHEMBL3498580 0.86 CYP11B1 (0.47) KMT2AHRH3LMNACYP11B1CYP11B2
SCHEMBL3497726 0.85 HRH3 (0.48) BRD4HRH3LMNACYP11B1CYP11B2
SCHEMBL3497325 0.85 KMT2A (0.43) BRD4KMT2AHRH3DRD2DRD4
SCHEMBL3497351 0.84 HRH3 (0.49) BRD4HRH3LMNACYP11B1CYP11B2

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 BRD4 1166/4885KMT2A 1090/4885HRH3 2/4885

“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.