SCHEMBL4263

SCHEMBL4263

Brc1cccc(OC2CCCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.42
BRD4 O60885 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
FFAR4 Q5NUL3 5/20 0.40
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
HTR7 P34969 1/20 0.39
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
PIM1 P11309 3/20 0.37
PIM2 Q9P1W9 3/20 0.37
PIM3 Q86V86 2/20 0.37
JAK3 P52333 2/20 0.36
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL31581118 1.00 MCHR1 (0.42) MCHR1BRD4SLC6A2SLC6A4KCNH2
SCHEMBL3112003 0.98 SLC6A2 (0.41) MCHR1BRD4SLC6A2SLC6A4KCNH2
SCHEMBL4844 0.95 SLC6A2 (0.41) MCHR1BRD4SLC6A2SLC6A4KCNH2
SCHEMBL19437904 0.91 SLC6A2 (0.43) MCHR1BRD4SLC6A2SLC6A4KCNH2
SCHEMBL31546857 0.91 SLC6A2 (0.43) MCHR1BRD4SLC6A2SLC6A4KCNH2
SCHEMBL4503320 0.83 HRH1 (0.47) BRD4SLC6A2SLC6A4KCNH2HTR7
SCHEMBL12949688 0.82 PDGFRB (0.48) MCHR1BRD4SLC6A2SLC6A4KCNH2
SCHEMBL31304348 0.80 CHRM2 (0.43) SLC6A2KCNH2HTR7
SCHEMBL12093187 0.79 SLC6A4 (0.44) SLC6A2SLC6A4KCNH2HTR7
SCHEMBL911339 0.79 SLC6A4 (0.58) SLC6A2SLC6A4KCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796677-B2 Amide compound and pharmaceutical comprising same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-10-24 US disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
EP-3081556-A1 AMIDE COMPOUND AND PHARMACEUTICAL COMPRISING SAME Japan Science and Technology Agency (JP) 2016-10-19 EP disclosed
US-20160297764-A1 AMIDE COMPOUND AND PHARMACEUTICAL COMPRISING SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2016-10-13 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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 (2 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-20160297764-A1 AMIDE COMPOUND AND PHARMACEUTICAL COMPRISING SAME APP, BACE1, APBA1 MCHR1 3162/4885BRD4 992/4885SLC6A2 1421/4885
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 MCHR1 535/4885BRD4 1103/4885SLC6A2 4116/4885

“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.