SCHEMBL5139563

SCHEMBL5139563

C=CCc1ccccc1C(C=C)n1cccn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 6/20 0.39
ADRA2C P18825 6/20 0.39
ADRA2A P08913 5/20 0.39
ALDH1A1 P00352 1/20 0.35
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
HTR1A P08908 3/20 0.32
KCNH2 Q12809 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
CYP17A1 P05093 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5139870 0.73 CYP17A1 (0.45) CYP17A1
SCHEMBL601036 0.69 GABRA1 (0.45) ADRA2BADRA2CADRA2AALDH1A1GABRA1
SCHEMBL7559394 0.68 MAPK1 (0.47) ADRA2AALDH1A1GABRA1GABRB2
SCHEMBL3257654 0.68 ADRA2C (0.41) ADRA2BADRA2CADRA2AALDH1A1GABRA1
SCHEMBL1501851 0.66 ADRA2C (0.49) ADRA2BADRA2CADRA2AALDH1A1GABRA1
SCHEMBL11874663 0.66 ADRA2C (0.49) ADRA2BADRA2CADRA2AALDH1A1GABRA1
SCHEMBL23501592 0.65 ADRA2C (0.43) ADRA2BADRA2CADRA2AALDH1A1GABRA1
SCHEMBL19322490 0.65 ADRA2C (0.40) ADRA2BADRA2CADRA2AALDH1A1GABRA1
SCHEMBL6269535 0.64 GABRA1 (0.46) ADRA2BADRA2CADRA2AALDH1A1GABRA1
SCHEMBL11872427 0.64 SMN1; SMN2 (0.44) ADRA2BADRA2CADRA2AALDH1A1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224183-B1 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP claimed
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 US claimed
US-6887870-B1 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 US claimed
EP-1224183-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP claimed
WO-2001027107-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 WO claimed
US-7326705-B2 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
EP-1224183-B1 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP disclosed
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 US disclosed
US-6887870-B1 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 US disclosed
EP-1224183-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP disclosed
WO-2001027107-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 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-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method NHERF1, SLC9A3, SLC9A1 ADRA2B 898/4885ADRA2C 667/4885ADRA2A 797/4885

“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.