SCHEMBL2845301

SCHEMBL2845301

N#Cc1ccc(OC2CNCc3occc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.36
TRPC6 Q9Y210 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
SLC9A3 P48764 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRND Q07001 1/20 0.32

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
SCHEMBL2840814 0.79 SLC6A2 (0.33) MAOAMAOBSLC6A2SLC6A4CHRNB2
SCHEMBL2844093 0.67 IMPDH2 (0.39)
SCHEMBL2237539 0.67 HRH3 (0.56) HRH3HRH2HRH1SLC6A2SLC6A4
SCHEMBL9806175 0.66 KMT2A (0.49) KMT2AMAOA
Hydrochloric Acid SCHEMBL2991787 0.66 HRH3 (0.54) HRH3HRH2HRH1SLC6A2SLC6A4
SCHEMBL31632587 0.63 HRH3 (0.55) HRH3HRH1SLC6A2SLC6A4CHRNB2
SCHEMBL13636042 0.63 HRH3 (0.55) HRH3HRH1SLC6A2SLC6A4CHRNB2
SCHEMBL8271830 0.63 HRH3 (0.55) HRH3HRH1SLC6A2SLC6A4CHRNB2
SCHEMBL187534 0.62 HRH3 (0.63) HRH3HRH1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2705400 0.61 HRH3 (0.61) HRH3HRH1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 EP 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-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 HRH3 777/4885TRPC6 1278/4885MEN1 3895/4885

“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.