SCHEMBL15033763

SCHEMBL15033763

COc1nc(Cl)c(C)c(NCc2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.52
CNR1 P21554 1/20 0.44
PTGS2 P35354 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
EPHX2 P34913 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL15033784 0.81 CA1 (0.45) CNR1CA1CA2MEN1NPC1
SCHEMBL15033812 0.80 PDE10A (0.43) PDE10APTGS2
SCHEMBL15119848 0.75 APP (0.40) RAB9AL3MBTL1
SCHEMBL19751956 0.73 PDE10A (0.65) PDE10A
SCHEMBL14998841 0.73 PDE5A (0.49) CA1CA2MEN1KMT2A
SCHEMBL12065712 0.72 CA1 (0.40) CA1CA2MEN1NPC1EPHX2
SCHEMBL12065464 0.70 MEN1 (0.42) CA1CA2MEN1EPHX2RAB9A
SCHEMBL15022444 0.68 PDE10A (1.00) PDE10A
SCHEMBL19751942 0.68 PDE10A (0.51) PDE10A
SCHEMBL12065730 0.68 MEN1 (0.40) CA1CA2MEN1EPHX2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2721025-B1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 EP disclosed
US-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS CCR2, CCRL2, CXCR2 PDE10A 2136/4885CNR1 39/4885PTGS2 134/4885

“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.