SCHEMBL6092902

SCHEMBL6092902

CC(=O)NC1CCc2nc(N)ncc2C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
DRD3 P35462 4/20 0.41
DRD2 P14416 3/20 0.41
KDR P35968 2/20 0.41
PDGFRB P09619 1/20 0.39
CYP2D6 P10635 1/20 0.37
ENPP2 Q13822 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL3009300 0.88 DRD3 (0.42) MTNR1AMTNR1BDRD3DRD2KDR
SCHEMBL16082810 0.85 MTNR1A (0.51) MTNR1AMTNR1BDRD3DRD2ENPP2
SCHEMBL13213520 0.84 EPHX2 (0.44) DRD3DRD2KDRPDGFRB
SCHEMBL3534053 0.80 HPGD (0.43) MTNR1AMTNR1BDRD3DRD2KDR
SCHEMBL3534365 0.80 NPC1 (0.49) DRD3DRD2KDRPDGFRB
SCHEMBL3530723 0.79 KDR (0.47) DRD3DRD2KDRPDGFRB
SCHEMBL3530658 0.78 MTNR1A (0.39) MTNR1AMTNR1BDRD3DRD2KDR
SCHEMBL16082811 0.78 MTNR1A (0.52) MTNR1AMTNR1BDRD3DRD2CA12
SCHEMBL3530715 0.78 DRD2 (0.44) DRD3DRD2KDRPDGFRB
SCHEMBL3530610 0.78 EPHX2 (0.52) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014145512-A2 POTENT SMALL MOLECULE INHIBITORS OF AUTOPHAGY, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-18 WO disclosed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 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 (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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 MTNR1A 3083/4885MTNR1B 1140/4885DRD3 2867/4885

“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.