SCHEMBL18790107

SCHEMBL18790107

CCOC(=O)C1CCCN(C(=O)c2c(C)cccc2F)C1c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
PREP P48147 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
PPIB P23284 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL18532605 1.00 CNR2 (0.43) CNR2PREPALDH1A1KDM4ETSHR
SCHEMBL2582573 1.00 CNR2 (0.43) CNR2PREPALDH1A1KDM4ETSHR
SCHEMBL30495338 1.00 CNR2 (0.43) CNR2PREPALDH1A1KDM4ETSHR
Oxalic Acid SCHEMBL30495310 0.98 CNR2 (0.44) CNR2PREPALDH1A1KDM4ETSHR
SCHEMBL25431326 0.91 PREP (0.42) CNR2PREPRAB9AHCRTR1HCRTR2
SCHEMBL18609681 0.91 CNR2 (0.51) CNR2PREPALDH1A1KDM4ETSHR
SCHEMBL16280637 0.91 CNR2 (0.51) CNR2PREPALDH1A1KDM4ETSHR
SCHEMBL12160754 0.91 CNR2 (0.51) CNR2PREPALDH1A1KDM4ETSHR
SCHEMBL15065340 0.87 PREP (0.45) PREPNPSR1KMT2ARAB9AHCRTR1
SCHEMBL25432711 0.87 PREP (0.45) PREPNPSR1KMT2ARAB9AHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102258-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2023-03-30 US disclosed
US-20170114017-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2017-04-27 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-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 CNR2 89/4885PREP 597/4885ALDH1A1 2966/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 CNR2 89/4885PREP 597/4885ALDH1A1 2966/4885

“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.