SCHEMBL19733478

SCHEMBL19733478

CNC(=O)C1CCN(I)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNA7 P36544 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
BCHE P06276 1/20 0.38
LTA4H P09960 3/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
DPP4 P27487 1/20 0.36
NOTUM Q6P988 1/20 0.35
PDK2 Q15119 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 2/20 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
SCHEMBL16312180 0.88 BCHE (0.43) SMN1; SMN2ALDH1A1CHRNB2CHRNA4CHRNA7
SCHEMBL22079800 0.80 HDAC8 (0.54) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
SCHEMBL761339 0.80 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1CHRNB2CHRNA4CHRNA7
SCHEMBL13654358 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1CHRNB2CHRNA4CHRNA7
SCHEMBL12410298 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1CHRNB2CHRNA4CHRNA7
SCHEMBL12385871 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1CHRNB2CHRNA4CHRNA7
SCHEMBL5909567 0.78 CHRNB2 (0.50) SMN1; SMN2ALDH1A1CHRNB2CHRNA4CHRNA7
SCHEMBL103880 0.78
SCHEMBL8351549 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1034955 0.77 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CHRNB2CHRNA4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2022-01-06 US disclosed
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 (6 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 SMN1; SMN2 4766/4885ALDH1A1 1767/4885CHRNB2 493/4885
US-11046706-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 SMN1; SMN2 4766/4885ALDH1A1 1767/4885CHRNB2 493/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 SMN1; SMN2 4766/4885ALDH1A1 1767/4885CHRNB2 493/4885
US-10196402-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 SMN1; SMN2 4766/4885ALDH1A1 1767/4885CHRNB2 493/4885
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 SMN1; SMN2 4759/4885ALDH1A1 2073/4885CHRNB2 364/4885
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 SMN1; SMN2 4766/4885ALDH1A1 1767/4885CHRNB2 493/4885

“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.