SCHEMBL6785452

SCHEMBL6785452

CC(=O)Nc1ccc(Br)c2c1CN(C)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
APEX1 P27695 1/20 0.38
MYC P01106 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
NPC1 O15118 2/20 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
SCHEMBL8152134 0.94 RXFP1 (0.44) RXFP1CA1CA2CA9ADRA2A
SCHEMBL6609264 0.88 RXFP1 (0.49) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL7983593 0.84 RXFP1 (0.43) RXFP1CA1CA2CA9MAPT
SCHEMBL8126976 0.84 GRIA1 (0.36) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL14287202 0.84 ALDH1A1 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6781077 0.82 MAPT (0.42) RXFP1CA1CA2CA9MAPT
SCHEMBL4359331 0.82 MAPK1 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4359335 0.82 MAPK1 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8119203 0.82 MAPK1 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6784074 0.82 KDM4E (0.42) APEX1MYCALDH1A1PTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703391-B2 THROMBOSIS, BRAIN DISORDERS, CARDIOVASCULAR DISORDERS, ALZHEIMER'S DISEASE, HUNTINGTON DISEASES NEUROSEARCH A/S (DK) 2004-03-09 US disclosed
US-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-06-19 US disclosed
EP-0664807-B1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER LAMBERT CO (US) 1997-09-10 EP disclosed
EP-0664807-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS. WARNER LAMBERT CO (US) 1995-08-02 EP disclosed
WO-1994009000-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-04-28 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-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE CHRNA3, CHRNA7, CHRNB3 RXFP1 228/4885CA1 1280/4885CA2 605/4885

“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.