SCHEMBL5995248

SCHEMBL5995248

COc1ccc(OC)c(C(=O)C2CC=CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
LMNA P02545 2/20 0.63
KDM4E B2RXH2 1/20 0.63
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 4/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
RAB9A P51151 1/20 0.46
KDM2B Q8NHM5 3/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL4133619 0.87 MAPT (0.66) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL5997708 0.84 NPC1 (0.47) MAPTLMNAKDM4EHTTALDH1A1
SCHEMBL4113759 0.83 MAPT (0.61) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL5998156 0.82 LMNA (0.46) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL4129937 0.77 MAPT (0.55) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL7861715 0.77 MAPT (0.42) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL1759671 0.76 MAPT (0.66) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL12228747 0.76 MAPT (0.82) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL7128967 0.75 MAPT (0.55) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL503802 0.74 POLB (0.70) MAPTLMNAKDM4EHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122534-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-10-17 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 (3 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 MAPT 322/4885LMNA 4320/4885KDM4E 1075/4885
US-20030008890-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 MAPT 489/4885LMNA 4094/4885KDM4E 960/4885
US-20040167149-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 MAPT 489/4885LMNA 4094/4885KDM4E 960/4885

“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.