SCHEMBL18924943

SCHEMBL18924943

O=C(O)C1CCCN(I)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
NOTUM Q6P988 1/20 0.39
SLC6A1 P30531 4/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A11 P48066 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
AKR1C3 P42330 1/20 0.37

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
SCHEMBL23546235 0.86
SCHEMBL23938243 0.86
SCHEMBL18924944 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10SMN1; SMN2KDM4EMEN1
SCHEMBL21580905 0.76 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL20715130 0.76 BCHE (0.51) ALDH1A1HSD17B10SMN1; SMN2KDM4EKMT2A
SCHEMBL364248 0.76
SCHEMBL7089943 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10SMN1; SMN2KDM4EMEN1
SCHEMBL15321814 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10SMN1; SMN2KDM4EMEN1
SCHEMBL2878783 0.74 ALDH1A1 (0.49) ALDH1A1HSD17B10SMN1; SMN2KDM4EMEN1
SCHEMBL10149789 0.74 ALDH1A1 (0.49) ALDH1A1HSD17B10SMN1; SMN2KDM4EMEN1

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
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-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
US-9670222-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2017-06-06 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-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 ALDH1A1 1767/4885HSD17B10 1825/4885SMN1; SMN2 4766/4885
US-10196402-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 ALDH1A1 1767/4885HSD17B10 1825/4885SMN1; SMN2 4766/4885
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 ALDH1A1 2073/4885HSD17B10 2063/4885SMN1; SMN2 4759/4885
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 ALDH1A1 1767/4885HSD17B10 1825/4885SMN1; SMN2 4766/4885

“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.