SCHEMBL4476961

SCHEMBL4476961

CC(C)Nc1ccc(I)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.53
PDE10A Q9Y233 1/20 0.38
EDNRA P25101 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
FDPS P14324 2/20 0.33
FDFT1 P37268 1/20 0.33
APEX1 P27695 1/20 0.32
PMP22 Q01453 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL17198297 0.79 EDNRA (0.35) HCAR3EDNRAHCAR2FDPSFDFT1
SCHEMBL23938187 0.78 HDAC4 (0.48) GPR55HPGD
SCHEMBL6986719 0.78 HCAR3 (0.45) HCAR3EDNRAHCAR2CYP1A2FDPS
SCHEMBL6921057 0.77 HCAR3 (0.55) HCAR3TRPM8MAPTHPGD
SCHEMBL3063783 0.76
SCHEMBL8002428 0.75 FDPS (0.56) HCAR3FDPSFDFT1TDP1MEN1
SCHEMBL3723734 0.75 HCAR3 (0.58) HCAR3PDE10A
SCHEMBL12243807 0.75 HCAR3 (0.53) HCAR3PDE10ATRPM8TLR9TLR8
SCHEMBL13249613 0.75 HCAR3 (0.53) HCAR3PDE10ATRPM8TLR9TLR8
SCHEMBL20350367 0.75 HCAR3 (0.53) HCAR3PDE10ATRPM8GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493889-B1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-06 EP disclosed
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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 (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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 HCAR3 32/4885PDE10A 3514/4885EDNRA 33/4885

“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.