SCHEMBL4397756

SCHEMBL4397756

CN(CCc1cc(F)ccc1Sc1c[nH]c2cc(F)ccc12)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
BCHE P06276 2/20 0.42
CDK4 P11802 4/20 0.41
CCND1 P24385 4/20 0.41
HTR1A P08908 1/20 0.41
MPO P05164 1/20 0.38
IDO1 P14902 1/20 0.38
HTR2A P28223 3/20 0.36
TDO2 P48775 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL4393672 0.94 BCHE (0.39) ACHEBCHECDK4CCND1HTR1A
SCHEMBL4381230 0.93 CDK4 (0.43) ACHEBCHECDK4CCND1HTR1A
SCHEMBL4391535 0.93 CDK4 (0.51) CDK4CCND1IDO1
SCHEMBL4384406 0.92 IDO1 (0.41) ACHEBCHECDK4CCND1HTR1A
SCHEMBL4393850 0.88 ACHE (0.40) ACHEBCHECDK4CCND1HTR1A
SCHEMBL4397592 0.86 IDO1 (0.51) CDK4CCND1MPOIDO1HTR2A
SCHEMBL4389097 0.84 CDK4 (0.42) CDK4CCND1IDO1HTR2A
SCHEMBL4386318 0.81 CDK4 (0.48) CDK4CCND1IDO1
SCHEMBL4387834 0.81 CDK4 (0.47) CDK4CCND1
SCHEMBL4388022 0.79 CDK4 (0.49) CDK4CCND1IDO1

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 ACHE 606/4885BCHE 2114/4885CDK4 550/4885

“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.