SCHEMBL3831065

SCHEMBL3831065

CC(C)(C)OC(=O)N1CC2Cc3cccnc3C(C2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.44
GPR119 Q8TDV5 3/20 0.43
NAMPT P43490 1/20 0.42
PDE10A Q9Y233 3/20 0.42
FNTA P49354 3/20 0.41
FNTB P49356 3/20 0.41
MAPK1 P28482 1/20 0.40
DTYMK P23919 1/20 0.39
NR1H2 P55055 1/20 0.38
HPGDS O60760 1/20 0.38

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
SCHEMBL25308218 0.79 POLB (0.48) KDM4EPOLBGPR119NAMPTPDE10A
SCHEMBL2595696 0.78 POLB (0.47) KDM4EPOLBGPR119NAMPTPDE10A
SCHEMBL25889533 0.78 POLB (0.47) KDM4EPOLBGPR119PDE10AFNTA
SCHEMBL31654621 0.78 POLB (0.47) KDM4EPOLBGPR119PDE10AFNTA
SCHEMBL2992043 0.76 GPR119 (0.53) KDM4EPOLBGPR119NAMPTPDE10A
SCHEMBL2595638 0.75 PDE10A (0.53) POLBGPR119PDE10AHPGDS
SCHEMBL31569102 0.75 MAPK1 (0.48) POLBGPR119NAMPTPDE10AFNTA
SCHEMBL24326461 0.75 MAPK1 (0.48) POLBGPR119NAMPTPDE10AFNTA
SCHEMBL3831037 0.74 CHRNB2 (0.40)
SCHEMBL2998444 0.74 GPR119 (0.54) KDM4EPOLBGPR119NAMPTPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648893-B1 NICOTINE ADDICTION REDUCING HETEROARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2009-09-23 EP disclosed
US-7494992-B2 Antiparasitic terpene alkaloids PFIZER INC. (US) 2009-02-24 US disclosed
US-7456177-B2 Heteroaryl fused azapolycyclic compounds which bind to neuronal nicotinic acetylcholine specific receptor sites, and which are useful in modulating cholinergic function, for for reducing nicotine addiction or aiding in the cessation or lessening of tobacco use in a mammal, therapy PFIZER INC. (US) 2008-11-25 US disclosed
US-20070185101-A1 Antiparasitic terpene alkaloids PFIZER PRODUCTS INC 2007-08-09 US disclosed
US-20050020830-A1 Heteroaryl fused azapolycyclic compounds which bind to neuronal nicotinic acetylcholine specific receptor sites, and which are useful in modulating cholinergic function, for for reducing nicotine addiction or aiding in the cessation or lessening of tobacco use in a mammal, therapy PFIZER INC 2005-01-27 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 (2 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-20050020830-A1 Heteroaryl fused azapolycyclic compounds which bind to neuronal nicotinic acetylcholine specific receptor sites, and which are useful in modulating cholinergic function, for for reducing nicotine addiction or aiding in the cessation or lessening of tobacco use in a mammal, therapy CHRNA2, CHRNA3, CHRNB2 KDM4E 2779/4885POLB 4365/4885GPR119 374/4885
US-20070185101-A1 Antiparasitic terpene alkaloids CYP51A1, DHPS, CYP8B1 KDM4E 752/4885POLB 3098/4885GPR119 1945/4885

“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.