SCHEMBL10132162

SCHEMBL10132162

Cc1cc(C(=O)NCC(=O)NC2CNC2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.43
CCR2 P41597 11/20 0.43
POLB P06746 1/20 0.43
DRD4 P21917 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL10132161 0.88 RAB9A (0.53) RAB9AKMT2ACCR2
SCHEMBL612663 0.83 TAS1R3 (0.54) RAB9ACCR2KCNH2
SCHEMBL10131864 0.80 CCR2 (0.58) RAB9ACCR2
SCHEMBL10132184 0.79 CACNA1H (0.43) RAB9AKMT2ACCR2POLB
SCHEMBL15631001 0.77 KDM4E (0.51) KMT2APOLB
SCHEMBL629116 0.76 CCR2 (0.53) RAB9ACCR2KCNH2
SCHEMBL10132163 0.75 CCR2 (0.69) CCR2KCNH2
Hydrochloric Acid SCHEMBL20771808 0.74 CCR2 (0.52) RAB9ACCR2KCNH2
SCHEMBL615384 0.74 CCR2 (0.73) CCR2KCNH2
SCHEMBL13790808 0.74 TAS1R3 (0.60) RAB9APOLBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-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 (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-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 RAB9A 4177/4885KMT2A 1459/4885CCR2 1/4885
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 RAB9A 4177/4885KMT2A 1459/4885CCR2 1/4885

“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.