SCHEMBL7601354

SCHEMBL7601354

C[C@@H]1C(NC(=O)c2ccc(Oc3ccc(C#N)cc3)cc2)C2CCN1CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
USP30 Q70CQ3 2/20 0.45
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
IL18 Q14116 1/20 0.43
SCN9A Q15858 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43

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
SCHEMBL6874552 1.00 RAB9A (0.46) RAB9ANPC1HRH2HRH1USP30
SCHEMBL7667806 1.00 RAB9A (0.46) RAB9ANPC1HRH2HRH1USP30
SCHEMBL6881953 0.90 USP30 (0.45) NPC1USP30PKMSCN9ACHRNB2
SCHEMBL6881105 0.88 CHRNB2 (0.44) USP30SCN9ACHRNB2CHRNA7CHRNA4
SCHEMBL6883860 0.88 PRKAA2 (0.42) HRH2HRH1POLBSCN9ACHRNB2
SCHEMBL6878258 0.87 CHRNB2 (0.44) HRH2HRH1USP30CHRNB2CHRNA7
SCHEMBL6883586 0.87 CHRNA7 (0.46) RAB9ANPC1HRH2HRH1LMNA
SCHEMBL6883813 0.86 USP30 (0.51) NPC1USP30MEN1PKMKMT2A
SCHEMBL6882895 0.86 CHRNB2 (0.55) RAB9ANPC1MEN1POLBMAPT
SCHEMBL6881959 0.86 HPGD (0.46) RAB9ANPC1HRH2HRH1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492386-B2 TREATING A DISEASE OR CONDITION IN A MAMMAL, WHEREIN THE ALPHA 7 NICOTINIC-ACETYLCHOLINE RECEPTOR IS IMPLICATED PHARMACIA & UPJOHN COMPANY 2002-12-10 US disclosed
US-20020052389-A1 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic-acetylcholine receptor is implicated PHARMACIA & UPJOHN COMPANY 2002-05-02 US 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-20020052389-A1 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic-acetylcholine receptor is implicated CHRNA7, CHRNA1, CHRNB1 RAB9A 1723/4885NPC1 211/4885HRH2 429/4885

“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.