SCHEMBL3830368

SCHEMBL3830368

COCNC(=O)C1CC=CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
HPGD P15428 3/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
NAAA Q02083 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 2/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL1342010 0.81
SCHEMBL28248140 0.78 CHRNB2 (0.42) JAK2JAK1JAK3HSD17B10SMN1; SMN2
SCHEMBL1340685 0.78 SMN1; SMN2 (0.50) HPGDJAK2JAK1JAK3HSD17B10
SCHEMBL1341778 0.78 SMN1; SMN2 (0.55) HPGDHSD17B10SMN1; SMN2ALDH1A1NAAA
SCHEMBL1341403 0.76 NAAA (0.56) HPGDHSD17B10SMN1; SMN2NAAAKMT2A
SCHEMBL17923869 0.73 CHRNB2 (0.53) POLBHPGDHSD17B10ALDH1A1NAAA
SCHEMBL2535622 0.73 GNAI3 (0.57) POLBHSD17B10SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL20474688 0.73 NAAA (0.34) HPGDJAK2JAK1JAK3HSD17B10
SCHEMBL4257123 0.73 KDM4E (0.40) HPGDHSD17B10SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL16225189 0.72 JAK2 (0.34) HPGDJAK2JAK1JAK3HSD17B10

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 14 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-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-7122534-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-10-17 US disclosed
EP-1648893-A1 NICOTINE ADDICTION REDUCING HETEROARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2006-04-26 EP disclosed
WO-2005007655-A1 NICOTINE ADDICTION REDUCING HETEROARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-01-27 WO 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
US-20040167149-A1 Aryl fused azapolycyclic compounds PFIZER INC 2004-08-26 US disclosed
US-6706702-B2 FOR THERAPY OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS PFIZER INC. 2004-03-16 US disclosed
EP-1076650-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2004-02-04 EP disclosed
US-20030130261-A1 Aryl fused azapolycyclic compounds PFIZER INC 2003-07-10 US disclosed
US-20030008890-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-01-09 US disclosed
US-6462035-B1 BINDING TO NEURONAL NICOTINIC ACETYLCHOLINE SPECIFIC RECEPTOR; MODULATING CHOLINERGIC FUNCTION; REDUCING NICOTINE ADDICTION; INFLAMMATORY AND IRRITABLE BOWEL SYNDROME, SPASTIC DYSTONIA, CHRONIC AND ACUTE PAIN, EATING DISORDERS PFIZER INC. 2002-10-08 US disclosed
EP-1076650-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2001-02-21 EP disclosed
WO-1999055680-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-11-04 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 (4 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-20030130261-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A POLB 2859/4885HPGD 2072/4885JAK2 207/4885
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 POLB 4365/4885HPGD 1926/4885JAK2 3486/4885
US-20030008890-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 POLB 3595/4885HPGD 2384/4885JAK2 238/4885
US-20040167149-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 POLB 3595/4885HPGD 2384/4885JAK2 238/4885

“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.