SCHEMBL17191998

SCHEMBL17191998

CN(C(=O)OCc1ccccc1)N(CCN1CCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.50
HTT P42858 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
OPRK1 P41145 3/20 0.44
EGFR P00533 2/20 0.44
NPY1R P25929 1/20 0.44
CCR5 P51681 1/20 0.43

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
SCHEMBL4283767 0.85 HRH3 (0.56) SIGMAR1HTTHRH3NPC1RAB9A
SCHEMBL13661448 0.79 SIGMAR1 (0.46) SIGMAR1HTTHRH3NPC1RAB9A
SCHEMBL13661596 0.78 SIGMAR1 (0.46) SIGMAR1HTTHRH3NPC1RAB9A
Hydrochloric Acid SCHEMBL23354635 0.78 SIGMAR1 (0.47) SIGMAR1HTTHRH3NPC1RAB9A
SCHEMBL21120476 0.77 SMN1; SMN2 (0.55) SIGMAR1HTTHRH3NPC1RAB9A
SCHEMBL2188473 0.77 CTSK (0.49) SIGMAR1HTTNPC1RAB9AKDM4E
SCHEMBL4274572 0.77 CCR5 (0.50) SIGMAR1HRH3NPC1RAB9AKDM4E
SCHEMBL2249421 0.76 CTSK (0.48) SIGMAR1HTTHRH3NPC1RAB9A
SCHEMBL19717823 0.75 HRH3 (0.46) SIGMAR1HRH3CCR5
SCHEMBL13660817 0.75 KDM4E (0.52) SIGMAR1HTTHRH3NPC1RAB9A

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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL SIGMAR1 2796/4885HTT 3766/4885HRH3 3855/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 SIGMAR1 1564/4885HTT 3879/4885HRH3 787/4885

“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.