SCHEMBL5848866

SCHEMBL5848866

NC(=O)CN1CCC(N)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
APEX1 P27695 1/20 0.35
BLM P54132 1/20 0.35
PGR P06401 1/20 0.34
P2RX7 Q99572 1/20 0.33
PRKCI P41743 1/20 0.33
LTA4H P09960 1/20 0.33
GNAI3 P08754 2/20 0.32
GNAO1 P09471 2/20 0.32
GNAI1 P63096 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31

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
SCHEMBL1063621 1.00 KDM4E (0.45) KDM4ETSHRPOLBPKMHRH2
SCHEMBL1006226 1.00 KDM4E (0.45) KDM4ETSHRPOLBPKMHRH2
SCHEMBL1006794 0.88 KDM4E (0.42) KDM4ETSHRPOLBPKMAPEX1
SCHEMBL1007467 0.88 KDM4E (0.42) KDM4ETSHRPOLBPKMAPEX1
SCHEMBL1008007 0.88 KDM4E (0.42) KDM4ETSHRPOLBPKMAPEX1
SCHEMBL1007625 0.87 KDM4E (0.54) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL7373455 0.86 TSHR (0.44) KDM4ETSHRPOLBPKML3MBTL1
SCHEMBL1008772 0.83 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL2362299 0.83 HSD17B10 (0.41) HRH2HRH1SMN1; SMN2LTA4HGNAI3
SCHEMBL1008579 0.83 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; 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-7071195-B2 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-07-04 US disclosed
US-20060052388-A1 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders DAX SCOTT L 2006-03-09 US disclosed
EP-1493742-A1 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-01-05 EP disclosed
US-20020115715-A1 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders DAX SCOTT L (US) 2002-08-22 US disclosed
EP-1202986-A1 AMINE AND AMIDE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-05-08 EP disclosed
US-6380224-B1 FOR THERAPY OF EATING DISORDERS, OBESITY, BULIMIA NERVOSA, DIABETES, MEMORY LOSS, EPILEPTIC SEIZURES, MIGRAINE, SLEEP DISTURBANCES, PAIN, SEXUAL/REPRODUCTIVE DISORDERS, DEPRESSION AND ANXIETY ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-04-30 US disclosed
WO-2001009120-A1 AMINE AND AMIDE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-02-08 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-20060052388-A1 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders NPY5R, NPY1R, NPY2R KDM4E 834/4885TSHR 104/4885POLB 4531/4885
US-20020115715-A1 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders NPY5R, NPY1R, NPY2R KDM4E 854/4885TSHR 102/4885POLB 4516/4885

“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.