SCHEMBL13061370

SCHEMBL13061370

CCCc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.67
SMN1; SMN2 Q16637 3/20 0.62
NOS3 P29474 1/20 0.54
NOS1 P29475 1/20 0.54
NOS2 P35228 1/20 0.54
AOC3 Q16853 1/20 0.54
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
KCNJ1 P48048 1/20 0.53
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 2/20 0.49
EPAS1 Q99814 2/20 0.49
HTT P42858 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
SCHEMBL22550059 0.93 HRH3 (0.61) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL25137036 0.89 HRH3 (0.62) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL15467001 0.86 HRH3 (0.87) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL301839 0.85 HRH3 (0.71) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL16644362 0.83 HRH3 (0.69) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL16644328 0.83 HRH3 (0.69) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL10244180 0.83 NCF1 (0.67) HRH3SMN1; SMN2NOS1MAPTALDH1A1
SCHEMBL13228061 0.82 HRH3 (0.68) HRH3ALDH1A1MEN1TSHRKMT2A
SCHEMBL15391995 0.81 HRH3 (0.67) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL27630736 0.81 HRH3 (0.67) HRH3SMN1; SMN2NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640533-B2 Epoxyketone compounds for enzyme inhibition CENTRAX INTERNATIONAL, INC. (US) 2020-05-05 US disclosed
EP-3332645-A1 USE OF SUBSTITUTED PYRIMIDINE DIONES OR THEIR SALTS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS Bayer Cropscience AG (DE) 2018-06-13 EP disclosed
US-20170158734-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2017-06-08 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 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 (3 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HRH3 1271/4885SMN1; SMN2 45/4885NOS3 2108/4885
US-10640533-B2 Epoxyketone compounds for enzyme inhibition PSMD10, PSMC1, PSMB10 HRH3 4156/4885SMN1; SMN2 1323/4885NOS3 3196/4885
US-20170158734-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION PSMD10, PSMC1, PSMB10 HRH3 4156/4885SMN1; SMN2 1323/4885NOS3 3196/4885

“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.