SCHEMBL6805064

SCHEMBL6805064

CSc1cc[13c](C(=O)N[C@@H]2C3CCN(CC3)[C@H]2C)s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.43
CHRNB2 P17787 6/20 0.43
CHRNA4 P43681 6/20 0.43
PKM P14618 1/20 0.42
LIG1 P18858 1/20 0.42
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR3E A5X5Y0 5/20 0.37
HTR3B O95264 5/20 0.37
HTR3A P46098 5/20 0.37
HTR3D Q70Z44 5/20 0.37
HTR3C Q8WXA8 5/20 0.37
NR1D1 P20393 1/20 0.37
PLAU P00749 1/20 0.36

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
SCHEMBL6829677 1.00 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4PKMLIG1
SCHEMBL7059206 0.86 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL7652916 0.86 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL7064115 0.85 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL7064022 0.85 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL7063496 0.85 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL7063201 0.84 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL7225655 0.84 CHRNB2 (0.58) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL7063828 0.84 CHRNA7 (0.45) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL7062796 0.83 CHRNA7 (0.39) 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 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 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.