SCHEMBL20323370

SCHEMBL20323370

Cc1cc2c(=O)[nH]n(C)c2nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 5/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
JAK2 O60674 1/20 0.32
HTT P42858 1/20 0.32
PAX8 Q06710 1/20 0.32
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
RECQL P46063 2/20 0.31
CYP1A2 P05177 2/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL25856666 0.69 KDM4E (0.38) KDM4ETP53ALDH1A1LMNAHPGD
SCHEMBL11391437 0.67 PDE3B (0.57) KDM4ELMNAHPGDPDE3BPDE3A
SCHEMBL20303435 0.67 KDM4E (0.36) KDM4EALDH1A1HPGDCYP1A2MAPT
SCHEMBL20303329 0.64 MAPT (0.59) KDM4EALDH1A1LMNAHPGDCYP1A2
SCHEMBL20321370 0.64 CYP1A2 (0.49) KDM4EALDH1A1LMNAHPGDCDK4
SCHEMBL20302119 0.63 KDM4E (0.48) KDM4EALDH1A1LMNAHPGDJAK2
SCHEMBL20321449 0.63 SRC (0.49) ALDH1A1LMNAJAK2CYP1A2SMN1; SMN2
SCHEMBL21468663 0.63 SMN1; SMN2 (0.34) KDM4EALDH1A1LMNAHPGDJAK2
SCHEMBL20321383 0.63 CHRM4 (0.42) KDM4EALDH1A1LMNAHPGDCYP1A2
SCHEMBL21468831 0.62 KAT2B (0.39) KDM4EALDH1A1CYP1A2MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11230556-B2 6,5-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-01-25 US disclosed
US-11230556-B2 6,5-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-01-25 US disclosed
EP-3558306-B1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (US) 2021-07-07 EP disclosed
EP-3558306-B1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (US) 2021-07-07 EP disclosed
US-20200095261-A1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2020-03-26 US disclosed
WO-2018118736-A1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
WO-2018112840-A1 6, 5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2018-06-28 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 (2 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-11230556-B2 6,5-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM2 KDM4E 748/4885TP53 3200/4885ALDH1A1 3051/4885
US-20200095261-A1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM5, CHRM4, CHRM2 KDM4E 748/4885TP53 3200/4885ALDH1A1 3051/4885

“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.