SCHEMBL10201104

SCHEMBL10201104

COc1ccc(NCC2CC2)nc1Br

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.41
GALR1 P47211 1/20 0.39
GAK O14976 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FYN P06241 1/20 0.37
VCP P55072 2/20 0.36
ACHE P22303 2/20 0.36
BACE1 P56817 2/20 0.36
GPR39 O43194 2/20 0.36
MAPT P10636 1/20 0.36
HTR2A P28223 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
BRD4 O60885 2/20 0.34

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
SCHEMBL10201098 0.79 PGK1 (0.49) ALDH1A1HPGD
SCHEMBL10201114 0.76 IDH1 (0.36) PDE10AMEN1KMT2AFYNVCP
SCHEMBL7944240 0.76 PDGFRB (0.43) PDE10AHPGDFYN
SCHEMBL17513670 0.73 CTSA (0.47) MEN1KMT2AHPGD
SCHEMBL7916840 0.73 ALDH1A1 (0.42) MEN1KMT2AALDH1A1LMNAFYN
SCHEMBL16039738 0.73 CYP1A2 (0.54) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL10263321 0.72 IDO1 (0.43) KMT2AALDH1A1
SCHEMBL24713175 0.71 CNR2 (0.40) PDE10AMEN1KMT2AFYNVCP
SCHEMBL7010205 0.69 SLC6A2 (0.44) PDE10AMEN1KMT2AGPR39
SCHEMBL23093423 0.69 CYP1A2 (0.57) MEN1KMT2AALDH1A1LMNAHPGD

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-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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 (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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 PDE10A 2473/4885TRPM8 1304/4885GALR1 3403/4885

“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.