SCHEMBL4382973

SCHEMBL4382973

CN(CCc1cc(F)ccc1S)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.41
HTR2A P28223 1/20 0.41
RIPK1 Q13546 3/20 0.40
PDK2 Q15119 1/20 0.38
CACNA1G O43497 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HTR6 P50406 1/20 0.34
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL4388596 0.85 HTR2C (0.41) HTR2CSLC6A4HTR2ARIPK1PDK2
SCHEMBL14326997 0.78 TAAR1 (0.50) RIPK1PDK2SIGMAR1
SCHEMBL4383284 0.77 HTR2C (0.38) HTR2CSLC6A4HTR2ARIPK1PDK2
SCHEMBL30512182 0.76 RIPK1 (0.50) HTR2CSLC6A4HTR2ARIPK1CACNA1G
SCHEMBL21494224 0.76 RIPK1 (0.50) HTR2CSLC6A4HTR2ARIPK1CACNA1G
SCHEMBL21076921 0.75 PDK2 (0.45) HTR2CSLC6A4HTR2ARIPK1PDK2
SCHEMBL23105683 0.75 RIPK1 (0.49) HTR2CSLC6A4HTR2ARIPK1CACNA1G
SCHEMBL4389105 0.75 LMNA (0.40) HTR2CSLC6A4PDK2TRPV4GBA1
SCHEMBL23105681 0.74 RIPK1 (0.48) HTR2CSLC6A4HTR2ARIPK1PDK2
SCHEMBL4397756 0.73 ACHE (0.42) HTR2ACDK4CCND1

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-1893575-B1 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H LUNDBECK AS (DK) 2017-01-11 EP disclosed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US disclosed
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2006-12-21 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-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives CYP11B2, CYP1A2, CYP4B1 HTR2C 73/4885SLC6A4 70/4885HTR2A 121/4885

“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.