SCHEMBL1400767

SCHEMBL1400767

Cc1cnc(Cl)nc1N1CCC(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.47
SMO Q99835 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RPS6KA5 O75582 1/20 0.39
MAPT P10636 1/20 0.38
CHRM3 P20309 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PIM1 P11309 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
NPY5R Q15761 1/20 0.36

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
SCHEMBL20302466 0.84 HCRTR2 (0.46) HCRTR2SMOSMN1; SMN2KDM4EALDH1A1
SCHEMBL2560028 0.81 CYP3A4 (0.51) HCRTR2SMN1; SMN2KDM4EALDH1A1ABL1
SCHEMBL13649032 0.81 ABL1 (0.56) SMN1; SMN2ALDH1A1ABL1BCRLMNA
SCHEMBL25551781 0.80 SMN1; SMN2 (0.49) HCRTR2SMN1; SMN2ALDH1A1ABL1BCR
SCHEMBL20298322 0.78 JAK2 (0.42) SMOSMN1; SMN2KDM4EALDH1A1ABL1
SCHEMBL13310382 0.78 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EALDH1A1ABL1BCR
SCHEMBL15434024 0.78 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EALDH1A1
SCHEMBL22860796 0.77 MAPT (0.60) HCRTR2SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL23196391 0.77 SYK (0.44) HCRTR2SMN1; SMN2ABL1BCR
SCHEMBL21815409 0.76 ABL1 (0.46) HCRTR2SMOSMN1; SMN2ABL1BCR

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
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
EP-3558306-A1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2019-10-30 EP 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
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-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
EP-1578715-B1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORP (US) 2011-03-02 EP disclosed
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation CANTIN LOUIS-DAVID 2010-08-12 US disclosed
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation CANTIN LOUIS-DAVID 2010-08-12 US disclosed
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation CANTIN LOUIS-DAVID 2010-08-12 US disclosed
US-7714004-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2010-05-11 US disclosed
US-7714004-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2010-05-11 US disclosed
US-7714004-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2010-05-11 US disclosed
US-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-20 US disclosed
EP-1578715-A2 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION Bayer Pharmaceuticals Corporation (US) 2005-09-28 EP disclosed
WO-2004058174-A2 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 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 (4 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-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP HCRTR2 2143/4885SMO 734/4885SMN1; SMN2 4523/4885
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP HCRTR2 2143/4885SMO 734/4885SMN1; SMN2 4523/4885
US-11230556-B2 6,5-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM2 HCRTR2 139/4885SMO 1276/4885SMN1; SMN2 2700/4885
US-20200095261-A1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM5, CHRM4, CHRM2 HCRTR2 139/4885SMO 1276/4885SMN1; SMN2 2700/4885

“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.