SCHEMBL5513655

SCHEMBL5513655

CC(C)C(=O)Nc1cccc(C2CCNCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.42
BIRC2 Q13490 1/20 0.42
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
HTR1F P30939 2/20 0.41
HPGD P15428 1/20 0.41
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CCNA1 P78396 3/20 0.39
SYK P43405 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 1/20 0.38
NUDT1 P36639 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL12975620 0.85 HTR1F (0.55) HTR1FHPGDSYKSMN1; SMN2PARP1
SCHEMBL4770372 0.76 DRD2 (0.47)
SCHEMBL4791557 0.72 DRD2 (0.54) BRAF
SCHEMBL5660577 0.71 MDM4 (0.50)
SCHEMBL410932 0.71 CNR2 (0.49) SMN1; SMN2PARP1
SCHEMBL23103361 0.71 TLR9 (0.42)
SCHEMBL5515435 0.71 HTR2C (0.52)
SCHEMBL4764984 0.71 NAMPT (0.56)
SCHEMBL19699466 0.71 ADORA3 (0.40) ADORA1ADORA3ADORA2ACCNA2CDK2
SCHEMBL6027438 0.71 ADORA1 (0.54) ADORA1HTR1FHPGDSYKSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-20060217418-A1 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2006-09-28 US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
US-20060084649-A9 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-04-20 US disclosed
CN-1735595-A Substituted alkyl amido piperidines LUNDBECK & CO AS H (DK) 2006-02-15 CN disclosed
CN-1671386-A Substituted anilinic piperidines as MCH selective antagonists LUNDBECK & CO AS H (DK) 2005-09-21 CN disclosed
EP-1411942-A4 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2005-01-26 EP disclosed
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 US disclosed
EP-1411942-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS Synaptic Pharmaceutical Corporation (US) 2004-04-28 EP disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R XIAP 2518/4885BIRC2 3832/4885ADORA1 13/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R XIAP 4427/4885BIRC2 4180/4885ADORA1 16/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R XIAP 4427/4885BIRC2 4180/4885ADORA1 16/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R XIAP 4427/4885BIRC2 4180/4885ADORA1 16/4885

“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.