SCHEMBL843129

SCHEMBL843129

Cn1ccc2cc(C(=O)O)ncc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.57
MAPT P10636 3/20 0.47
MCL1 Q07820 1/20 0.41
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 6/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRKCI P41743 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CHRNA7 P36544 1/20 0.40
HTR2C P28335 1/20 0.40

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
Hydrochloric Acid SCHEMBL3850438 0.87 PIK3CB (0.58) PIK3CBMAPTCYP2A6KDM4EMEN1
SCHEMBL14152235 0.86 PIK3CB (0.45) PIK3CBMAPTCYP2A6KDM4EMEN1
SCHEMBL10314837 0.83 PIK3CB (0.50) PIK3CBMAPTCYP2A6KDM4EMEN1
SCHEMBL12384968 0.76 MAPK1 (0.47) MAPTKDM4ECCNCCDK8ASPH
SCHEMBL17859395 0.75 PIK3CB (0.45) PIK3CBMAPTMEN1KMT2A
SCHEMBL30633549 0.74 PIK3CB (0.51) PIK3CBMAPTKDM4EMEN1TP53
SCHEMBL7914260 0.74 PIK3CB (0.65) PIK3CBMAPTCYP2A6KDM4EMEN1
SCHEMBL31168038 0.73 PIK3CB (0.54) PIK3CBMAPTCYP2A6KDM4EMEN1
SCHEMBL3481247 0.73 PIK3CB (1.00) PIK3CBMAPTCYP2A6PRKCIGRM4
SCHEMBL17336491 0.73 PIK3CB (0.62) PIK3CBMAPTCYP2A6KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 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
CN-1735441-A Combination for treating attention deficit hyperactivity disorder PHARMACIA & UPJOHN CO LLC (US) 2006-02-15 CN disclosed
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists PFIZER INC 2006-01-26 US 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
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC 2005-10-20 US disclosed
US-20050234065-A1 Dipeptidyl peptidase-IV inhibitors PFIZER INC 2005-10-20 US disclosed
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC. 2005-10-06 US disclosed
EP-1572300-A1 COMBINATION FOR THE TREATMENT OF ADHD Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
CN-1511154-A Quinuclidine substituted polycyclic heteroaryl compounds for treatment of disease �������Ŷ���Լ��������˾ 2004-07-07 CN disclosed
EP-1432707-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-06-30 EP disclosed
WO-2004052461-A1 COMBINATION FOR THE TREATMENT OF ADHD PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO 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
WO-2004039815-A2 COMPOUNDS HAVING BOTH ALPHA7 NACHR AGONIST AND 5HT ANTAGONIST ACTIVITY FOR TREATMENT OF CNS DISEASES 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
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 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 (7 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 PIK3CB 2127/4885MAPT 322/4885MCL1 3873/4885
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 PIK3CB 1104/4885MAPT 3351/4885MCL1 1634/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 PIK3CB 396/4885MAPT 3838/4885MCL1 516/4885
US-20050234065-A1 Dipeptidyl peptidase-IV inhibitors ALPI, DPP4, SI PIK3CB 1649/4885MAPT 2826/4885MCL1 3192/4885
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists CHRNA7, CHRNA1, CHRNG PIK3CB 4025/4885MAPT 2082/4885MCL1 3606/4885
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease NQO2, SLC10A1, CYP7A1 PIK3CB 1421/4885MAPT 1721/4885MCL1 1352/4885
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 PIK3CB 1104/4885MAPT 3351/4885MCL1 1634/4885

“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.