SCHEMBL2598428

SCHEMBL2598428

Clc1ccc(-c2cc(C3CCNCC3)[nH]n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.74
MKNK2 Q9HBH9 4/20 0.74
DRD4 P21917 10/20 0.68
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
MAPK1 P28482 1/20 0.68
DRD2 P14416 9/20 0.64
DRD3 P35462 8/20 0.64
POLB P06746 1/20 0.56
S1PR2 O95136 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
ALOX12 P18054 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL19805568 0.91 DRD4 (0.76) MKNK1MKNK2DRD4KMT2AMEN1
SCHEMBL10070042 0.84 MKNK1 (0.75) MKNK1MKNK2DRD4KMT2AMEN1
SCHEMBL20939706 0.83 MKNK1 (1.00) MKNK1MKNK2DRD4KMT2AMEN1
Hydrochloric Acid SCHEMBL19410715 0.82 MKNK1 (0.97) MKNK1MKNK2DRD4KMT2AMEN1
SCHEMBL22555697 0.82 USP30 (0.60) MKNK1MKNK2DRD4KMT2AMEN1
SCHEMBL15074625 0.78 MKNK1 (0.64) MKNK1MKNK2DRD4KMT2AMEN1
SCHEMBL14686771 0.77 DRD4 (0.69) DRD4DRD2DRD3POLBS1PR2
SCHEMBL2755249 0.76 MKNK1 (0.49) MKNK1MKNK2DRD4KMT2AMEN1
SCHEMBL5765218 0.75 MKNK1 (0.70) MKNK1MKNK2DRD4KMT2AMEN1
SCHEMBL25431152 0.74 MKNK1 (0.59) MKNK1MKNK2DRD4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
EP-2568812-B1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-26 EP disclosed
EP-2568812-B1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-26 EP disclosed
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 US disclosed
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 US disclosed
CN-101812054-B 1-acetyl-N-phenyl-N-(3-(4-(3-phenyl-1-H-pyrazole-5-radial)piperidine-1-radical)propyl)-4-amide derivative and preparation method thereof UNIV BEIJING TECHNOLOGY 2014-01-22 CN disclosed
EP-2568812-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-03-20 EP disclosed
US-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-14 US disclosed
US-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-14 US disclosed
WO-2011143057-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-17 WO disclosed
WO-2011143057-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-17 WO disclosed
CN-101812054-A 1-acetyl-N-phenyl-N-(3-(4-(3-phenyl-1-H-pyrazole-5-radial)piperidine-1-radical)propyl)-4-amide derivative and preparation method thereof UNIV BEIJING TECHNOLOGY 2010-08-25 CN 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 (1 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-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP MKNK1 1365/4885MKNK2 2027/4885DRD4 4740/4885

“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.