SCHEMBL6486776

SCHEMBL6486776

Cn1c(C(=O)O)ccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.50
PCSK9 Q8NBP7 1/20 0.47
MCL1 Q07820 1/20 0.46
PGR P06401 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
PKM P14618 2/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
ADORA2B P29275 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6498233 0.82 KDM4E (0.49) NQO2PCSK9ALDH1A1MAPTPKM
SCHEMBL2731303 0.81 CYP2C9 (0.56) ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3761395 0.80 LMNA (0.66) ALDH1A1MAPTLMNAKDM4EPOLB
SCHEMBL10939353 0.80 PCSK9 (0.47) NQO2PCSK9PGRALDH1A1MAPT
SCHEMBL71983 0.78 MCL1 (0.48) MCL1ALDH1A1LMNAKDM4EPOLB
SCHEMBL822673 0.78 PCSK9 (0.68) NQO2PCSK9PGRALDH1A1MAPT
SCHEMBL27680472 0.77 ALDH1A1 (0.41) NQO2MCL1ALDH1A1MAPTPKM
SCHEMBL6335112 0.76 ALDH1A1 (0.47) NQO2ALDH1A1MAPTPKMHTT
SCHEMBL25149160 0.76 NQO2 (0.46) NQO2PCSK9PGRALDH1A1MAPT
SCHEMBL3370216 0.76 BACE1 (0.46) ALDH1A1LMNAKDM4EL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563094-B (hetero) aryl-substituted piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-03-18 CN disclosed
US-20210355106-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2021-11-18 US disclosed
CN-113038990-A Novel amino-pyrimidinone-piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-06-25 CN disclosed
US-10654849-B2 (Hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 US disclosed
WO-2020079205-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2020-04-23 WO disclosed
EP-3468971-B1 NEW (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2020-02-19 EP disclosed
US-20190144449-A1 (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-05-16 US disclosed
EP-3468971-A1 NEW (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2019-04-17 EP disclosed
CN-109563094-A Acyclic derivatives, their preparation method and the pharmaceutical composition containing them that new (miscellaneous) aryl replaces 法国施维雅药厂 2019-04-02 CN disclosed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-6599916-B2 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic acetylcholine receptor is implicated, Alzheimer's disease, pre-senile dementia (mild cognitive impairment), or senile dementia. PHARMACIA & UPJOHN COMPANY 2003-07-29 US disclosed
EP-1311505-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2003-05-21 EP disclosed
US-6500840-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-31 US disclosed
US-6492385-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-10 US disclosed
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY 2002-07-11 US disclosed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
WO-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002017358-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 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-20210355106-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM QDPR, QARS1, QPCTL NQO2 86/4885PCSK9 3649/4885MCL1 3812/4885
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 NQO2 1/4885PCSK9 368/4885MCL1 2263/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 NQO2 18/4885PCSK9 459/4885MCL1 1764/4885
US-20190144449-A1 (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, BCL2, CCNK NQO2 1355/4885PCSK9 4492/4885MCL1 14/4885
US-10654849-B2 (Hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, BCL2, CCNK NQO2 1355/4885PCSK9 4492/4885MCL1 14/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 NQO2 1/4885PCSK9 368/4885MCL1 2263/4885

“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.