SCHEMBL3495461

SCHEMBL3495461

Cn1c(C(=O)N2CCCC2)cnc1Br

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
HPGD P15428 11/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 2/20 0.39
PTK2 Q05397 1/20 0.39
AR P10275 2/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL25149857 0.69 ADORA2A (0.55) GAAHPGDALDH1A1POLBMAPT
SCHEMBL24185213 0.68 HPGD (0.56) HPGDALDH1A1POLBTSHR
SCHEMBL9987480 0.68 HPGD (0.52) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL31531 0.68 ADORA2A (0.57) GAAHPGDALDH1A1POLBMAPT
SCHEMBL19356999 0.67 GABRG2 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL3498748 0.66 ALDH1A1 (0.38) GAAALDH1A1MEN1KMT2ATDP1
SCHEMBL1658448 0.66 HPGD (0.57) GAAHPGDALDH1A1KMT2APOLB
SCHEMBL12108494 0.66 KDM4E (0.66) HPGDALDH1A1MEN1KMT2A
SCHEMBL15071124 0.65 ADORA2A (0.57) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL3403461 0.65 CHRNA7 (0.47)

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 9 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 disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
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
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
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 GAA 1782/4885HPGD 739/4885ALDH1A1 1047/4885

“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.