SCHEMBL23573256

SCHEMBL23573256

O=C(O)NC1(C2CCCCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
HTT P42858 2/20 0.34
EPHX1 P07099 7/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
EPHX2 P34913 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
CYP2D6 P10635 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL23573276 0.98 LMNA (0.33) P2RX7HTTEPHX1NPC1RAB9A
SCHEMBL11801116 0.75 HTT (0.58) HTTEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL28826587 0.74 CCR2 (0.36) P2RX7HTTEPHX1NPC1RAB9A
SCHEMBL7046975 0.72 HTT (0.56) HTTMAPTKDM4EALDH1A1CYP3A4
SCHEMBL16030521 0.72 SLC6A2 (0.33) HTTCYP3A4LMNATSHRCYP2D6
SCHEMBL28046397 0.72 SLC6A2 (0.33) HTTCYP3A4LMNATSHRCYP2D6
SCHEMBL20549521 0.72 SLC6A1 (0.36) EPHX1SMN1; SMN2LMNATSHR
SCHEMBL20549383 0.72 SLC6A1 (0.36) EPHX1SMN1; SMN2LMNATSHR
SCHEMBL17494418 0.72 SLC6A1 (0.36) EPHX1SMN1; SMN2LMNATSHR
SCHEMBL9420527 0.71 HTT (0.36) HTTNPC1SMN1; SMN2MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 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 (1 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 P2RX7 42/4885HTT 2799/4885EPHX1 629/4885

“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.