SCHEMBL629125

SCHEMBL629125

CS(=O)(=O)Nc1ccc(C2CCC3(CC2)OCCO3)nc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.45
TRPV3 Q8NET8 1/20 0.37
PDE10A Q9Y233 3/20 0.37
GAA P10253 1/20 0.36
GRIN2B Q13224 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
TEAD2 Q15562 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CYP17A1 P05093 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
IDO1 P14902 1/20 0.33
RORC P51449 1/20 0.33
REN P00797 1/20 0.33
CTSD P07339 1/20 0.33

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
SCHEMBL629954 0.81 TRPV3 (0.42) TRPV3PDE10AIDO1
SCHEMBL3540420 0.79 IDO1 (0.40) TRPV3PDE10AALDH1A1IDO1
SCHEMBL628230 0.78 PDE10A (0.37) METTRPV3PDE10APTGS1PTGS2
SCHEMBL12338374 0.76 PDE10A (0.38) TRPV3PDE10AGAAIDO1
SCHEMBL25190562 0.76 TRPV3 (0.42) TRPV3PDE10AALDH1A1IDO1
SCHEMBL628671 0.75 IDO1 (0.40) TRPV3IDO1
SCHEMBL628734 0.73 PDE10A (0.39) TRPV3PDE10A
SCHEMBL16660961 0.73 TRPV3 (0.40) TRPV3PDE10A
SCHEMBL15167135 0.73 TRPV3 (0.40) TRPV3PDE10A
SCHEMBL4482079 0.72 MAPK1 (0.44) TRPV3PDE10AALDH1A1

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
EP-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
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
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
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
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 MET 3245/4885TRPV3 1736/4885PDE10A 3952/4885

“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.