SCHEMBL899695

SCHEMBL899695

Brc1cnc(N2CCNCC2)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.49
CHRNB2 P17787 7/20 0.49
CHRNA4 P43681 7/20 0.49
HTT P42858 1/20 0.48
HTR2C P28335 1/20 0.41
NCF1 P14598 1/20 0.41

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
SCHEMBL2366907 0.84 HRH4 (0.48) HRH4CHRNB2CHRNA4HTTHTR2C
SCHEMBL902974 0.83 CHRNB2 (0.54) HRH4CHRNB2CHRNA4
SCHEMBL14335373 0.83 HRH4 (0.47) HRH4CHRNB2CHRNA4HTTHTR2C
SCHEMBL898877 0.83 CHRNB2 (0.50) HRH4CHRNB2CHRNA4HTT
Hydrochloric Acid SCHEMBL30903348 0.81 CHRNB2 (0.49) HRH4CHRNB2CHRNA4HTT
SCHEMBL24970994 0.79 ADRB1 (0.49) CHRNB2CHRNA4HTR2CNCF1
SCHEMBL2418069 0.79 EPHX2 (0.56) HRH4CHRNB2CHRNA4HTTNCF1
SCHEMBL12694213 0.79 CHRNB2 (0.43) HRH4CHRNB2CHRNA4HTTHTR2C
Hydrochloric Acid SCHEMBL30223019 0.78 ADRB1 (0.48) CHRNB2CHRNA4HTR2CNCF1
SCHEMBL903045 0.77 ALDH1A1 (0.52) CHRNB2CHRNA4HTT

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-2621920-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-08-07 EP disclosed
CN-103209977-A Novel piperazine analogs with substituted heteroaryl groups as broad-spectrum influenza antivirals BRISTOL MYERS SQUIBB CO 2013-07-17 CN disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO 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-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, BAZ2A HRH4 60/4885CHRNB2 1589/4885CHRNA4 2068/4885

“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.