SCHEMBL8205378

SCHEMBL8205378

O=C(O)N1CC2CC(C1)c1cc3nccnc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.50
CHRNA4 P43681 4/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNA1 P02708 1/20 0.50
ESR1 P03372 1/20 0.50
CHRNG P07510 1/20 0.50
CHRNB1 P11230 1/20 0.50
CHRNA5 P30532 1/20 0.50
CHRNA7 P36544 1/20 0.50
HTR3A P46098 1/20 0.50
CHRND Q07001 1/20 0.50
CHRNA2 Q15822 1/20 0.50
HPGD P15428 1/20 0.39
ECE2 P0DPD6 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL25951618 0.88 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL13561413 0.81 ESR1 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL224375 0.81 ESR1 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL29349682 0.81 ESR1 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL24609207 0.79 CHRNB4 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL14101255 0.79 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL24609198 0.78 CHRNB4 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL24827106 0.75 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL13561410 0.75 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL14003843 0.75 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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-20100062046-A1 POLYMORPHS OF NICOTINIC INTERMEDIATES ALLEN DOUGLAS J M 2010-03-11 US disclosed
US-20100062046-A1 POLYMORPHS OF NICOTINIC INTERMEDIATES ALLEN DOUGLAS J M 2010-03-11 US disclosed
WO-2008060487-A2 POLYMORPHS OF NICOTINIC INTERMEDIATES PFIZER PRODUCTS INC. (US) 2008-05-22 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-20100062046-A1 POLYMORPHS OF NICOTINIC INTERMEDIATES NAPRT, NAMPT, NNMT CHRNB2 22/4885CHRNA4 4/4885CHRNB4 8/4885

“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.