SCHEMBL4890883

SCHEMBL4890883

O=C(OCc1ccccc1)N1CCc2c(cccc2N=C=S)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.53
SIGMAR1 Q99720 6/20 0.53
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTGDR2 Q9Y5Y4 11/20 0.47
DHFR P00374 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4893626 0.82 ABHD6 (0.40) TMEM97SIGMAR1KMT2APTGDR2
SCHEMBL29554819 0.80 TMEM97 (0.58) TMEM97SIGMAR1MEN1ALDH1A1GAA
SCHEMBL4795463 0.80 TMEM97 (0.58) TMEM97SIGMAR1MEN1ALDH1A1GAA
SCHEMBL28097001 0.80 PTGDR2 (0.60) TMEM97SIGMAR1PTGDR2
SCHEMBL30276669 0.80 TMEM97 (0.58) TMEM97SIGMAR1MEN1ALDH1A1GAA
SCHEMBL28096940 0.80 TMEM97 (0.58) TMEM97SIGMAR1MEN1ALDH1A1GAA
SCHEMBL324228 0.78 TMEM97 (0.67) TMEM97SIGMAR1MEN1KMT2ANPC1
SCHEMBL24495279 0.77 TMEM97 (0.58) TMEM97SIGMAR1MEN1ALDH1A1GAA
SCHEMBL16269012 0.75 TMEM97 (0.53) TMEM97SIGMAR1MEN1ALDH1A1GAA
SCHEMBL28097002 0.74 PTGDR2 (0.60) TMEM97SIGMAR1PTGDR2

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-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 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-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 TMEM97 265/4885SIGMAR1 256/4885MEN1 4288/4885

“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.