SCHEMBL6804367

SCHEMBL6804367

C[C@H]1[C@H](NC(=O)[13c]2ccc(-c3ccccn3)s2)C2CCN1CC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.65
CHRNB2 P17787 6/20 0.65
CHRNA4 P43681 6/20 0.65
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PPARG P37231 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49

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
SCHEMBL7057901 1.00 CHRNA7 (0.65) CHRNA7CHRNB2CHRNA4HDAC3HDAC4
SCHEMBL7115498 0.86 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4HDAC3HDAC4
SCHEMBL7129015 0.85 CHRNA7 (0.51) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL7057906 0.85 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4KDM4ENPC1
SCHEMBL7064066 0.84 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4HDAC1KDM4E
SCHEMBL7219699 0.84 CHRNA7 (0.48) CHRNA7CHRNB2CHRNA4KDM4ENPC1
SCHEMBL7059646 0.84 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4HDAC1HTR3E
SCHEMBL7063779 0.83 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4HDAC1KDM4E
SCHEMBL7220613 0.83 CHRNA7 (0.54) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL7061274 0.83 CHRNA7 (0.54) CHRNA7CHRNB2CHRNA4NPC1RAB9A

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 4 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
WO-2004052889-A1 COMPOUNDS AS RADIOLIGANDS FOR THE DIAGNOSIS OF DISEASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO 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 CHRNA7 14/4885CHRNB2 8/4885CHRNA4 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.