SCHEMBL5659490

SCHEMBL5659490

Fc1ccccc1-c1cccc2cc[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.47
TNF P01375 1/20 0.44
RIPK1 Q13546 1/20 0.44
NR3C1 P04150 9/20 0.42
KEAP1 Q14145 1/20 0.42
PDPK1 O15530 1/20 0.41
PGR P06401 2/20 0.40
NR3C2 P08235 2/20 0.40
AR P10275 2/20 0.40
REN P00797 2/20 0.40
GUSB P08236 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
TRPA1 O75762 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL31492457 0.85 AHR (0.60) AHRNR3C1KEAP1PDPK1PGR
SCHEMBL446638 0.81 AHR (0.56) AHRTNFRIPK1NR3C1KEAP1
SCHEMBL18867946 0.81 AHR (0.56) AHRTNFRIPK1NR3C1KEAP1
SCHEMBL4173132 0.78 REN (0.49) AHRNR3C1KEAP1PGRNR3C2
SCHEMBL16862049 0.78 GUSB (0.39) TNFRIPK1NR3C1RENGUSB
SCHEMBL7089560 0.77 AHR (0.68) AHRTNFRIPK1NR3C1KEAP1
SCHEMBL27487512 0.77 AHR (0.47) AHRNR3C1KEAP1PDPK1PGR
SCHEMBL594405 0.76 AHR (0.50) AHRTNFNR3C1KEAP1PDPK1
SCHEMBL6089266 0.76 AHR (0.46) AHRTNFRIPK1NR3C1KEAP1
SCHEMBL17123049 0.74 AHR (0.41) AHRNR3C1KEAP1PDPK1PGR

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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
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
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
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 (1 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 AHR 22/4885TNF 2988/4885RIPK1 4644/4885

“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.