SCHEMBL19733490

SCHEMBL19733490

CNc1ncnc(C(=O)N2CCC(N[C@H]3CCOC[C@H]3OC)CC2)c1C

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.72
CCR5 P51681 4/20 0.56
KCNH2 Q12809 7/20 0.42
CCR1 P32246 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL16257578 0.88 CCR2 (0.78) CCR2CCR5KCNH2
SCHEMBL2744807 0.88 CCR2 (0.71) CCR2CCR5KCNH2CCR1
SCHEMBL14849041 0.88 CCR2 (0.71) CCR2CCR5KCNH2CCR1
SCHEMBL21422801 0.88 CCR2 (0.57) CCR2CCR5KCNH2TMEM97SIGMAR1
SCHEMBL21422769 0.88 CCR2 (0.57) CCR2CCR5KCNH2TMEM97SIGMAR1
SCHEMBL16938585 0.88 CCR2 (0.66) CCR2CCR5KCNH2CCR1TMEM97
SCHEMBL12180185 0.88 CCR2 (0.71) CCR2CCR5KCNH2CCR1
SCHEMBL16257515 0.86 CCR2 (0.79) CCR2CCR5KCNH2
SCHEMBL10179415 0.86 CCR2 (0.67) CCR2CCR5KCNH2
SCHEMBL10180314 0.86 CCR2 (0.65) CCR2CCR5KCNH2

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-11046706-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2021-06-29 US disclosed
US-20190300541-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2019-10-03 US disclosed
US-10196402-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2019-02-05 US disclosed
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2017-12-21 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 (4 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-20190300541-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885KCNH2 4033/4885
US-11046706-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885KCNH2 4033/4885
US-10196402-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 5/4885KCNH2 4033/4885
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CCR2 1/4885CCR5 4/4885KCNH2 3611/4885

“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.