SCHEMBL842329

SCHEMBL842329

OCc1cc2ccoc2c(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.38
S1PR4 O95977 1/20 0.33
RECQL P46063 1/20 0.32
CCR1 P32246 1/20 0.32
CYP3A4 P08684 3/20 0.32
XDH P47989 1/20 0.31
SLC22A12 Q96S37 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
SCHEMBL24387335 0.75 NOTUM (0.36) NOTUMS1PR4RECQLCCR1
SCHEMBL31056535 0.71 KMO (0.39) XDHSLC22A12
SCHEMBL844102 0.71 KMO (0.39) XDHSLC22A12
SCHEMBL4802949 0.70 MAPT (0.38) CYP3A4XDHSLC22A12
SCHEMBL4673799 0.70 HTR1B (0.31)
SCHEMBL4797557 0.70 HTR1B (0.31)
SCHEMBL4796851 0.70 HTR1B (0.31)
SCHEMBL6849345 0.70 LMNA (0.47)
SCHEMBL843867 0.69 CYP2A6 (0.37) S1PR4CCR1CYP3A4
SCHEMBL844308 0.69 ALDH1A1 (0.33) NOTUMS1PR4CYP3A4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013051672-A1 MEDICINAL AGENT COMPRISING THIAZOLIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 株式会社ヤクルト本社 (JP) 2013-04-11 WO disclosed
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP disclosed
EP-1425286-B1 SUBSTITUTED 7-AZA-[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN CO LLC (US) 2007-02-28 EP disclosed
US-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US disclosed
CN-1764456-A Treatment of related diseases using full alpha-7 nACh receptor agonists PHARMACIA & UPJOHN CO LLC (US) 2006-04-26 CN disclosed
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists PFIZER INC 2006-01-26 US disclosed
CN-1720248-A Crystalline fumarate salts of 1-azabicyclo [2.2.2] octasubstituted furo [2, 3-c ] pyridylcarboxamides, compositions and methods PHARMACIA & UPJOHN CO LLC (US) 2006-01-11 CN disclosed
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CORBETT JEFFREY W 2005-11-03 US disclosed
EP-1587511-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS Pharmacia & Upjohn Company LLC (US) 2005-10-26 EP disclosed
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC 2005-10-20 US disclosed
WO-2004052894-A1 CRYSTALLINE FUMARATE SALTS OF 1-AZABICYCLO[2.2.2]OCT SUBSTITUTED FURO[2,3-C]PYRIDINYL CARBOXAMIDE AND COMPOSITIONS AND PREPARATIONS THEREOF PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
EP-1425286-A1 SUBSTITUTED 7-AZA[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2004-06-09 EP disclosed
WO-2004039366-A1 NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US disclosed
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-06-05 US disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO disclosed
WO-2003022856-A1 SUBSTITUTED 7-AZA[2.2.1] BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2003-03-20 WO disclosed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US disclosed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 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 (6 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-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CHRNA7, CHRNG, CHRNE NOTUM 1057/4885S1PR4 1135/4885RECQL 2121/4885
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 NOTUM 2419/4885S1PR4 1447/4885RECQL 1448/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 NOTUM 2831/4885S1PR4 1604/4885RECQL 1156/4885
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease CHRNA7, CHRNA1, CHRNA6 NOTUM 2354/4885S1PR4 1498/4885RECQL 1576/4885
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists CHRNA7, CHRNA1, CHRNG NOTUM 3170/4885S1PR4 1501/4885RECQL 3275/4885
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease NQO2, SLC10A1, CYP7A1 NOTUM 1842/4885S1PR4 3351/4885RECQL 129/4885

“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.