SCHEMBL6801375

SCHEMBL6801375

C[C@H]1[C@H](NC(=O)[13c]2ccc(Br)s2)C2CCN1CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.57
CHRNA7 P36544 5/20 0.57
CHRNA4 P43681 5/20 0.57
HPGD P15428 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 2/20 0.47
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ESR1 P03372 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL7059642 1.00 CHRNB2 (0.57) CHRNB2CHRNA7CHRNA4HPGDALDH1A1
SCHEMBL7059391 1.00 CHRNB2 (0.57) CHRNB2CHRNA7CHRNA4HPGDALDH1A1
SCHEMBL7062063 0.88 CHRNB2 (0.48) CHRNB2CHRNA7CHRNA4HPGDALDH1A1
SCHEMBL7063828 0.86 CHRNA7 (0.45) CHRNB2CHRNA7CHRNA4KMT2ANPC1
SCHEMBL7225655 0.86 CHRNB2 (0.58) CHRNB2CHRNA7CHRNA4HPGDALDH1A1
SCHEMBL7060781 0.85 KMT2A (0.47) CHRNB2CHRNA7CHRNA4HPGDALDH1A1
SCHEMBL7063255 0.84 CHRNA7 (0.51) CHRNB2CHRNA7CHRNA4HPGDALDH1A1
SCHEMBL7064073 0.82 CHRNA7 (0.43) CHRNB2CHRNA7CHRNA4NPC1RAB9A
SCHEMBL6805064 0.82 CHRNA7 (0.43) CHRNB2CHRNA7CHRNA4NPC1RAB9A
SCHEMBL6829677 0.82 CHRNA7 (0.43) CHRNB2CHRNA7CHRNA4NPC1RAB9A

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-20040157878-A1 Compounds as radioligands for the diagnosis of disease PHARMACIA & UPJOHN COMPANY 2004-08-12 US claimed
US-20040157878-A1 Compounds as radioligands for the diagnosis of disease PHARMACIA & UPJOHN COMPANY 2004-08-12 US disclosed
WO-2004052889-A1 COMPOUNDS AS RADIOLIGANDS FOR THE DIAGNOSIS OF DISEASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 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-20040157878-A1 Compounds as radioligands for the diagnosis of disease CHRNG, CHRNB1, CHRNE CHRNB2 8/4885CHRNA7 14/4885CHRNA4 19/4885

“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.