SCHEMBL628293

SCHEMBL628293

COc1ccc(C2CCC3(CC2)OCCO3)cn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.41
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TRPV6 Q9H1D0 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CSF1R P07333 3/20 0.34
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34
ENPP2 Q13822 1/20 0.34

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
SCHEMBL167849 0.81 TRPV6 (0.46) SLC6A2SLC6A4SLC6A3TRPV6PTGS1
SCHEMBL6265199 0.80 CSF1R (0.46) SLC6A2SLC6A4SLC6A3TRPV6PTGS1
SCHEMBL16475195 0.78 PDGFRB (0.44) SLC6A2SLC6A4SLC6A3TRPV6
SCHEMBL16475192 0.78 PDGFRB (0.47) SLC6A2SLC6A4SLC6A3TRPV6
SCHEMBL629592 0.78 TNKS (0.41) PDE10A
SCHEMBL1506576 0.77 POLB (0.48) PDE10ASLC6A2SLC6A4SLC6A3
SCHEMBL5182802 0.77 KDM4E (0.50) PDE10ASLC6A2SLC6A4SLC6A3TRPV6
SCHEMBL14403053 0.76 ESR2 (0.42) SLC6A4SLC6A3
SCHEMBL29891068 0.75 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3TRPV6PTGS1
SCHEMBL29457539 0.75 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
EP-2419417-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121011-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 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-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 PDE10A 3952/4885SLC6A2 3803/4885SLC6A4 3954/4885

“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.