SCHEMBL17628533

SCHEMBL17628533

O=C(O)[C@H]1CCCN[C@H]1c1ccc(NC2CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
GAA P10253 3/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
JAK3 P52333 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL20971986 0.91 KMT2A (0.36) KMT2AMEN1BLMGAAPOLB
SCHEMBL17640293 0.88 MAPT (0.38) KMT2AMEN1BLMGAAPOLB
SCHEMBL20971892 0.85 MAPT (0.38) KMT2AMEN1BLMGAAPOLB
SCHEMBL17644101 0.82 SLC6A2 (0.39) LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL20971904 0.80 HCAR3 (0.37) KMT2AMEN1BLMLMNAMAPT
SCHEMBL16579321 0.79 MEN1 (0.50) KMT2AMEN1BLMMAPTRAB9A
Hydrochloric Acid SCHEMBL20959290 0.77 MEN1 (0.45) KMT2AMEN1BLMGAAMAPT
Hydrochloric Acid SCHEMBL20959291 0.77 MEN1 (0.45) KMT2AMEN1BLMGAAMAPT
SCHEMBL25358540 0.75 CYP2C19 (0.40) HTTKDM4ESMN1; SMN2JAK3CYP2C19
SCHEMBL20971926 0.75 CYP2C19 (0.40) HTTKDM4ESMN1; SMN2JAK3CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845729-B2 Processes and intermediates in the preparation of C5aR antagonists CHEMOCENTRYX, INC. (US) 2023-12-19 US disclosed
US-11807609-B2 Deuterated compounds as immunomodulators CHEMOCENTRYX, INC. (US) 2023-11-07 US disclosed
US-20230008966-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2023-01-12 US disclosed
US-20210276955-A1 DEUTERATED COMPOUNDS AS IMMUNOMODULATORS CHEMOCENTRYX, INC. 2021-09-09 US disclosed
CN-113121415-A Processes and intermediates for preparing C5aR antagonists 凯莫森特里克斯股份有限公司 2021-07-16 CN disclosed
CN-106999481-B Processes and intermediates for preparing C5aR antagonists 凯莫森特里克斯股份有限公司 2021-04-16 CN disclosed
US-20200354320-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2020-11-12 US disclosed
EP-3703687-A1 DEUTERATED COMPOUNDS AS IMMUNOMODULATORS ChemoCentryx, Inc. (US) 2020-09-09 EP disclosed
EP-3682879-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2020-07-22 EP disclosed
EP-3200791-B1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2020-04-22 EP disclosed
US-20190276402-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2019-09-12 US disclosed
US-20190144389-A1 DEUTERATED COMPOUNDS AS IMMUNOMODULATORS CHEMOCENTRYX, INC. 2019-05-16 US disclosed
US-10266492-B2 Processes and intermediates in the preparation of C5aR antagonists CHEMOCENTRYX, INC. (US) 2019-04-23 US disclosed
US-20180072668-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2018-03-15 US disclosed
US-9745268-B2 Processes and intermediates in the preparation of C5aR antagonists CHEMOCENTRYX, INC. (US) 2017-08-29 US disclosed
EP-3200791-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS ChemoCentryx, Inc. (US) 2017-08-09 EP disclosed
WO-2016053890-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2016-04-07 WO disclosed
US-20160090357-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2016-03-31 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 (10 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-11807609-B2 Deuterated compounds as immunomodulators C3AR1, C5AR1, C5AR2 KMT2A 4498/4885MEN1 839/4885BLM 3004/4885
US-20180072668-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 KMT2A 4726/4885MEN1 918/4885BLM 2095/4885
US-20200354320-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 KMT2A 4726/4885MEN1 918/4885BLM 2095/4885
US-20190144389-A1 DEUTERATED COMPOUNDS AS IMMUNOMODULATORS C3AR1, C5AR1, C5AR2 KMT2A 4498/4885MEN1 839/4885BLM 3004/4885
US-11845729-B2 Processes and intermediates in the preparation of C5aR antagonists C5AR1, C5AR2, C3AR1 KMT2A 4726/4885MEN1 918/4885BLM 2095/4885
US-20190276402-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 KMT2A 4726/4885MEN1 918/4885BLM 2095/4885
US-20230008966-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 KMT2A 4726/4885MEN1 918/4885BLM 2095/4885
US-10266492-B2 Processes and intermediates in the preparation of C5aR antagonists C5AR1, C5AR2, C3AR1 KMT2A 4726/4885MEN1 918/4885BLM 2095/4885
US-20210276955-A1 DEUTERATED COMPOUNDS AS IMMUNOMODULATORS C3AR1, C5AR1, C5AR2 KMT2A 4498/4885MEN1 839/4885BLM 3004/4885
US-20160090357-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 KMT2A 4726/4885MEN1 918/4885BLM 2095/4885

“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.