SCHEMBL21884103

SCHEMBL21884103

CSc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.65
▸ SMN1; SMN2 Q16637 8/20 0.60
▸ ATM Q13315 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ NOS3 P29474 1/20 0.53
▸ NOS1 P29475 1/20 0.53
▸ NOS2 P35228 1/20 0.53
▸ MAPT P10636 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ KCNJ1 P48048 1/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ MAPK1 P28482 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ NR2F2 P24468 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL15467001 0.84 HRH3 (0.87) HRH3SMN1; SMN2MEN1KMT2ANOS3
SCHEMBL13293323 0.81 HRH3 (0.69) HRH3SMN1; SMN2ATMKDM4EMEN1
SCHEMBL24047168 0.81 HRH3 (0.59) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL28241083 0.80 SIGMAR1 (0.64) HRH3KMT2AALDH1A1MAPK1
SCHEMBL24233058 0.80 NCF1 (0.60) HRH3SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL17830792 0.80 SMN1; SMN2 (0.71) SMN1; SMN2ATMKDM4EMEN1KMT2A
SCHEMBL25967979 0.80 ALDH1A1 (0.65) SMN1; SMN2ATMKDM4EMEN1KMT2A
SCHEMBL11864 0.79 HRH3 (0.71) HRH3SMN1; SMN2MEN1KMT2ANOS3
SCHEMBL301839 0.79 HRH3 (0.71) HRH3SMN1; SMN2MEN1KMT2ANOS3
SCHEMBL5365785 0.79 SIGMAR1 (0.59) HRH3SMN1; SMN2ATMKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787482-B2 Epoxyketone compounds for enzyme inhibition Centrax International Inc. (US) 2020-09-29 — — US disclosed
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2020-03-19 — — 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-10787482-B2 Epoxyketone compounds for enzyme inhibition PSMD10, PSMC1, PSMB10 HRH3 4156/4885SMN1; SMN2 1323/4885ATM 3065/4885
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION PSMD10, PSMC1, PSMB10 HRH3 4156/4885SMN1; SMN2 1323/4885ATM 3065/4885

“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.

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