SCHEMBL5661850

SCHEMBL5661850

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
HTR1A P08908 6/20 0.47
SIGMAR1 Q99720 3/20 0.45
MAPT P10636 2/20 0.44
DRD3 P35462 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CCR3 P51677 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
LMNA P02545 1/20 0.41

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 1.00 POLB (0.53) POLBHTR1ASIGMAR1MAPTDRD3
SCHEMBL5660968 0.86 POLB (0.48) POLBHTR1ASIGMAR1MAPTDRD3
SCHEMBL5662012 0.83 SIGMAR1 (0.42) POLBHTR1ASIGMAR1DRD3
SCHEMBL7295734 0.80 MAPT (0.52) POLBHTR1ASIGMAR1MAPTDRD3
SCHEMBL5662432 0.80 HTR1A (0.47) HTR1ASIGMAR1MAPTDRD3SMN1; SMN2
SCHEMBL7298208 0.78 DRD3 (0.49) POLBHTR1ASIGMAR1MAPTDRD3
SCHEMBL2660796 0.78 MAPT (0.48) MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2640379 0.77 MAPT (0.41) HTR1ASIGMAR1MAPTDRD3
SCHEMBL2648201 0.76 MAPT (0.48) MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL5661203 0.76 ALDH1A1 (0.47) MAPTSMN1; SMN2KDM4ELMNA

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-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-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-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 (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 POLB 4634/4885HTR1A 29/4885SIGMAR1 57/4885
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R POLB 373/4885HTR1A 86/4885SIGMAR1 230/4885
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R POLB 679/4885HTR1A 34/4885SIGMAR1 159/4885
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R POLB 4829/4885HTR1A 55/4885SIGMAR1 114/4885

“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.