SCHEMBL5660968

SCHEMBL5660968

CC(C)(C)OC(=O)NCCCN1CC=C(c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
DRD2 P14416 7/20 0.44
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
DRD3 P35462 1/20 0.41
MAPT P10636 3/20 0.41
ALOX5 P09917 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR1A P08908 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL5661842 0.86 POLB (0.53) POLBDRD3MAPTSMN1; SMN2SIGMAR1
SCHEMBL5661850 0.86 POLB (0.53) POLBDRD3MAPTSMN1; SMN2SIGMAR1
SCHEMBL3994157 0.83 DRD2 (0.45) DRD2CCNT1CDK9DRD3SIGMAR1
SCHEMBL4563258 0.81 SIGMAR1 (0.46) DRD2MAPTRAB9ASIGMAR1HTR1A
SCHEMBL5662012 0.77 SIGMAR1 (0.42) POLBDRD2DRD3SIGMAR1HTR1A
SCHEMBL2634572 0.77 PDK4 (0.53) MAPT
SCHEMBL30112463 0.77 PDK4 (0.53) MAPT
SCHEMBL7063412 0.77 DRD3 (0.41) DRD2CCNT1CDK9DRD3MAPT
SCHEMBL3872005 0.76 DRD2 (0.59) POLBDRD2DRD3HTR1A
SCHEMBL2660796 0.75 MAPT (0.48) MAPTNPC1RAB9ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
US-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2004-12-02 US disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
US-6720324-B2 THERAPY FOR EATING DISORDERS, SEXUAL DISORDERS, PSYCHOLOGICAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-13 US disclosed
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2004-02-26 US disclosed
US-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-05-01 US disclosed
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-04-24 US disclosed
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof H. LUNDBECK A/S (DK) 2003-04-10 US 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 (6 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-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R POLB 679/4885DRD2 271/4885CCNT1 3483/4885
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R POLB 4634/4885DRD2 119/4885CCNT1 2121/4885
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R POLB 373/4885DRD2 612/4885CCNT1 2534/4885
US-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R POLB 4829/4885DRD2 175/4885CCNT1 3349/4885
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R POLB 679/4885DRD2 271/4885CCNT1 3483/4885
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R POLB 4829/4885DRD2 175/4885CCNT1 3349/4885

“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.