SCHEMBL17689403

SCHEMBL17689403

CC(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.55
SPR P35270 1/20 0.54
KCNH2 Q12809 4/20 0.52
HTR2C P28335 3/20 0.52
NAMPT P43490 5/20 0.47
DRD2 P14416 1/20 0.47
TXNRD1 Q16881 1/20 0.45
ACHE P22303 1/20 0.45
CNR2 P34972 1/20 0.44
HTR6 P50406 1/20 0.44
KMT2A Q03164 1/20 0.44
AKT1 P31749 1/20 0.44
PIK3CA P42336 1/20 0.44

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
SCHEMBL27917812 0.87 HTR2A (0.58) HTR2ASPRKCNH2HTR2CDRD2
SCHEMBL14413086 0.84 HTR2A (0.55) HTR2ASPRKCNH2HTR2CDRD2
SCHEMBL18711351 0.83 RBP4 (0.50) HTR2ASPRKCNH2HTR2CACHE
SCHEMBL14242442 0.83 BLM (0.55) HTR2ASPRKCNH2HTR2CNAMPT
SCHEMBL14227531 0.83 HTR2A (0.51) HTR2ASPRKCNH2HTR2CDRD2
SCHEMBL16631997 0.81 NAMPT (0.53) HTR2ANAMPTTXNRD1CNR2AKT1
SCHEMBL15231711 0.81 HTR2A (0.48) HTR2AKCNH2HTR2CNAMPTTXNRD1
SCHEMBL13947675 0.80 GPR119 (0.59) NAMPTKMT2A
SCHEMBL13873196 0.80 LMNA (0.52) HTR2ASPRKCNH2HTR2CDRD2
SCHEMBL5704984 0.80 HTR2A (0.62) HTR2ASPRKCNH2HTR2CNAMPT

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
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR HTR2A 1410/4885SPR 1/4885KCNH2 2751/4885

“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.