SCHEMBL2326883

SCHEMBL2326883

c1cc(N2CC3CNCC(C2)O3)ccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
PLD1 Q13393 1/20 0.47
CHKA P35790 1/20 0.42
BPTF Q12830 1/20 0.42
CHRNB2 P17787 4/20 0.41
CHRNA4 P43681 4/20 0.41
CHRNA7 P36544 3/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM1A O60341 2/20 0.34
EED O75530 1/20 0.34

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
SCHEMBL2334243 0.80 CHRNB2 (0.68) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL28962419 0.79 BPTF (0.66) ADRB2NCF1PLD1CHKABPTF
SCHEMBL25506012 0.79 BPTF (0.66) ADRB2NCF1PLD1CHKABPTF
SCHEMBL15102773 0.79 BPTF (0.66) ADRB2NCF1PLD1CHKABPTF
SCHEMBL2324005 0.79 CHKA (0.42) ADRB2NCF1PLD1CHKAALDH1A1
SCHEMBL27038380 0.79 BPTF (0.42) BPTFCHRNB2CHRNA4CHRNA7KDM1A
SCHEMBL2330764 0.79 CHRNB2 (0.44) BPTFCHRNB2CHRNA4CHRNA7CHRNB4
Hydrochloric Acid SCHEMBL15091835 0.78 CHRNB2 (0.65) ADRB2NCF1PLD1CHKABPTF
SCHEMBL2331210 0.74 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2323197 0.73 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257168-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2011-10-20 US claimed
EP-2356125-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Targacept, Inc. (US) 2011-08-17 EP claimed
WO-2010002971-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-01-07 WO claimed
US-20110257168-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2011-10-20 US disclosed
EP-2356125-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Targacept, Inc. (US) 2011-08-17 EP disclosed
WO-2010002971-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-01-07 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-20110257168-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA5, CHRNA2, CHRNB2 ADRB2 90/4885NCF1 985/4885PLD1 2615/4885

“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.