SCHEMBL3390351

SCHEMBL3390351

CC(C)(C)OC(=O)C1CC1c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
KDM1A O60341 3/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
PDE5A O76074 1/20 0.40
SLC9A1 P19634 2/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC4 P56524 2/20 0.38
USP30 Q70CQ3 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL13310394 1.00 HRH3 (0.47) HRH3KDM1ASLC6A4SLC6A3HTR2A
SCHEMBL3434363 1.00 HRH3 (0.47) HRH3KDM1ASLC6A4SLC6A3HTR2A
SCHEMBL25602859 0.84 SLC6A4 (0.57) HRH3KDM1ASLC6A4SLC6A3HTR2A
SCHEMBL30805855 0.84 SLC6A4 (0.57) HRH3KDM1ASLC6A4SLC6A3HTR2A
SCHEMBL4717135 0.84 SLC6A4 (0.57) HRH3KDM1ASLC6A4SLC6A3HTR2A
SCHEMBL4717140 0.84 SLC6A4 (0.57) HRH3KDM1ASLC6A4SLC6A3HTR2A
SCHEMBL440565 0.82 SLC6A4 (0.45) HRH3KDM1ASLC6A4SLC6A3HTR2C
SCHEMBL451958 0.82 SLC6A4 (0.45) HRH3KDM1ASLC6A4SLC6A3HTR2C
SCHEMBL15314508 0.82 SLC6A4 (0.45) HRH3KDM1ASLC6A4SLC6A3HTR2C
SCHEMBL29793453 0.82 MAPK1 (0.47) HRH3KDM1APDE5ASLC9A1MAPK1

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010052448-A2 FUSED PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-05-14 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD HRH3 917/4885KDM1A 4185/4885SLC6A4 3680/4885

“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.