SCHEMBL529304

SCHEMBL529304

CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2)C(C(=O)O)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.51
PDE4B Q07343 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
STS P08842 1/20 0.49
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MC4R P32245 1/20 0.47

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
SCHEMBL23982322 1.00 TACR1 (0.51) TACR1PDE4BMEN1KMT2ASTS
SCHEMBL527826 0.94 PDE4B (0.53) TACR1PDE4B
SCHEMBL5728925 0.91 PDE4B (0.50) TACR1PDE4BMEN1KMT2ASTS
SCHEMBL5728921 0.91 PDE4B (0.50) TACR1PDE4BMEN1KMT2ASTS
SCHEMBL23982324 0.89 GPR119 (0.53) TACR1PDE4BMEN1KMT2AMC4R
SCHEMBL2239870 0.89 TACR1 (0.61) TACR1PDE4BSTS
SCHEMBL12592456 0.89 PDE4B (0.58) TACR1PDE4BMEN1KMT2ASTS
SCHEMBL953506 0.89 TACR1 (0.61) TACR1PDE4BSTS
SCHEMBL1267217 0.89 PDE4B (0.58) TACR1PDE4BMEN1KMT2ASTS
SCHEMBL2244835 0.89 TACR1 (0.61) TACR1PDE4BSTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2018-10-02 US disclosed
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2017-05-11 US disclosed
US-9586938-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
CN-103140484-B Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH 2015-04-22 CN disclosed
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
EP-2598497-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2013-06-05 EP disclosed
CN-103140484-A Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH 2013-06-05 CN disclosed
WO-2012016001-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2012-02-02 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 (3 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-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA TACR1 3511/4885PDE4B 676/4885MEN1 563/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA TACR1 3511/4885PDE4B 676/4885MEN1 563/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA TACR1 3511/4885PDE4B 676/4885MEN1 563/4885

“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.