Sugi Predict

Sugi Predict / Compounds / SCHEMBL17997997

SCHEMBL17997997

SCHEMBL17997997

CCOC(=O)[C@H]1CCCN(C(=O)c2c(C)cccc2F)C1c1ccc(NC2CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.41
▸ KMT2A Q03164 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CCR5 P51681 5/20 0.36
▸ GFER P55789 2/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CASP3 P42574 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
SCHEMBL29766207 1.00 CNR2 (0.41) CNR2KMT2AALDH1A1MAPK1KDM4E
SCHEMBL2583006 1.00 CNR2 (0.41) CNR2KMT2AALDH1A1MAPK1KDM4E
SCHEMBL18532542 1.00 CNR2 (0.41) CNR2KMT2AALDH1A1MAPK1KDM4E
SCHEMBL18532604 1.00 CNR2 (0.41) CNR2KMT2AALDH1A1MAPK1KDM4E
SCHEMBL30632538 0.95 CNR2 (0.39) CNR2KMT2AALDH1A1MAPK1KDM4E
SCHEMBL30632480 0.94 CNR2 (0.39) CNR2KMT2AALDH1A1MAPK1KDM4E
SCHEMBL30632519 0.91 CNR2 (0.38) CNR2KMT2AALDH1A1MAPK1KDM4E
SCHEMBL18790097 0.88 CCR5 (0.40) KMT2AALDH1A1MEN1CCR5GFER
SCHEMBL18532541 0.88 CCR5 (0.40) KMT2AALDH1A1MEN1CCR5GFER
SCHEMBL2586526 0.88 CCR5 (0.40) KMT2AALDH1A1MEN1CCR5GFER

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-20190144389-A1 DEUTERATED COMPOUNDS AS IMMUNOMODULATORS CHEMOCENTRYX, INC. 2019-05-16 — — US disclosed
US-10035768-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2018-07-31 — — US disclosed
US-20180179160-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2018-06-28 — — US disclosed
US-20170114017-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2017-04-27 — — US disclosed
US-9573897-B2 C5AR antagonists CHEMOCENTRYX, INC. (US) 2017-02-21 — — US disclosed
US-20160229802-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2016-08-11 — — 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 (5 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-20190144389-A1 DEUTERATED COMPOUNDS AS IMMUNOMODULATORS C3AR1, C5AR1, C5AR2 CNR2 64/4885KMT2A 4498/4885ALDH1A1 1838/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 CNR2 89/4885KMT2A 4442/4885ALDH1A1 2966/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 CNR2 89/4885KMT2A 4442/4885ALDH1A1 2966/4885
US-20180179160-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 CNR2 89/4885KMT2A 4442/4885ALDH1A1 2966/4885
US-10035768-B2 C5aR antagonists C5AR1, C5AR2, C3AR1 CNR2 89/4885KMT2A 4442/4885ALDH1A1 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.