SCHEMBL5662012

SCHEMBL5662012

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
HTR1A P08908 1/20 0.42
PARP1 P09874 5/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
POLB P06746 1/20 0.41
SSTR1 P30872 1/20 0.41
SSTR2 P30874 1/20 0.41
SSTR3 P32745 1/20 0.41
SSTR5 P35346 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
SCHEMBL11836194 0.83 SIGMAR1 (0.45) SIGMAR1DRD2
SCHEMBL2660796 0.83 MAPT (0.48)
SCHEMBL5661850 0.83 POLB (0.53) SIGMAR1HTR1ADRD3POLB
SCHEMBL5661842 0.83 POLB (0.53) SIGMAR1HTR1ADRD3POLB
SCHEMBL2640379 0.82 MAPT (0.41) SIGMAR1HTR1ADRD2DRD3
SCHEMBL6637148 0.80 HTR1A (0.48) SIGMAR1HTR1APARP1DRD2DRD3
SCHEMBL9867159 0.79 SIGMAR1 (0.60) SIGMAR1HTR1ADRD2DRD3
SCHEMBL6634645 0.79 HTR7 (0.53) SIGMAR1HTR1APARP1DRD2DRD3
SCHEMBL31398127 0.79 SLC6A4 (0.55)
SCHEMBL2662766 0.79 SLC6A4 (0.55)

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 13 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
EP-1299362-A4 SELECTIVE MELANIN CONCENTRATING HORMONE-1 (MCH1) RECEPTOR ANTAGONISTS AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2004-11-03 EP 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
EP-1299362-A1 SELECTIVE MELANIN CONCENTRATING HORMONE-1 (MCH1) RECEPTOR ANTAGONISTS AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2003-04-09 EP disclosed
WO-2002006245-A1 SELECTIVE MELANIN CONCENTRATING HORMONE-1 (MCH1) RECEPTOR ANTAGONISTS AND USES THEREOF SYNAPTIC PHARMARCEUTICAL CORPORATION (US) 2002-01-24 WO disclosed
US-3995045-A ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-11-30 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 SIGMAR1 159/4885HTR1A 34/4885PARP1 2488/4885
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R SIGMAR1 57/4885HTR1A 29/4885PARP1 4441/4885
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R SIGMAR1 230/4885HTR1A 86/4885PARP1 2851/4885
US-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R SIGMAR1 114/4885HTR1A 55/4885PARP1 4656/4885
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R SIGMAR1 159/4885HTR1A 34/4885PARP1 2488/4885
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R SIGMAR1 114/4885HTR1A 55/4885PARP1 4656/4885

“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.