SCHEMBL17640293

SCHEMBL17640293

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
EPHX1 P07099 2/20 0.35
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL17628533 0.88 KMT2A (0.41) MAPTPOLBLMNAGAAPTGS1
SCHEMBL17644101 0.83 SLC6A2 (0.39) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL20971986 0.80 KMT2A (0.36) MAPTPOLBLMNAGAAPTGS1
SCHEMBL20971892 0.79 MAPT (0.38) MAPTPOLBLMNAGAAPTGS1
SCHEMBL13002585 0.79 ADAM10 (0.42) NPC1RAB9AKDM4EMEN1MAPK1
SCHEMBL30632525 0.77 SLC6A2 (0.36) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL29374814 0.76 GAA (0.45) GAANPC1RAB9AALDH1A1
SCHEMBL17628534 0.76 GAA (0.45) GAANPC1RAB9AALDH1A1
SCHEMBL29766172 0.74 MAPT (0.38) MAPTPOLBGAANPC1RAB9A
SCHEMBL24203568 0.69 TSHR (0.41) MAPTPOLBSMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20180072668-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 MAPT 4617/4885POLB 2356/4885LMNA 1860/4885
US-20160090357-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 MAPT 4617/4885POLB 2356/4885LMNA 1860/4885

“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.