Sugi Predict

Sugi Predict / Compounds / SCHEMBL4618247

SCHEMBL4618247

SCHEMBL4618247

Cc1ccc(N(C=O)C2CC2)cc1C1CCN(Cc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ACHE P22303 2/20 0.37
▸ MLNR O43193 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CCR5 P51681 4/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACKR3 P25106 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 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
SCHEMBL4616195 0.81 DRD2 (0.35) DRD2ADRA1AACHETP53KCNH2
SCHEMBL4803610 0.80 DRD2 (0.41) DRD2ADRA1AKCNH2
Hydrochloric Acid SCHEMBL4856737 0.75 DRD2 (0.46) DRD2ADRA1AMLNRKCNH2
SCHEMBL4636221 0.74 ACHE (0.38) DRD2ADRA1AACHETP53KCNH2
SCHEMBL4617689 0.73 DRD2 (0.44) DRD2ADRA1APOLB
SCHEMBL4617544 0.72 DRD2 (0.48) DRD2ADRA1AKCNH2
SCHEMBL4617537 0.72 HTR6 (0.42) DRD2ACHE
SCHEMBL4617179 0.72 HTT (0.45) DRD2ADRA1AACHEPOLB
SCHEMBL4615772 0.72 HTR6 (0.40) DRD2ADRA1A
SCHEMBL4636515 0.72 DRD2 (0.49) DRD2ACHECCR5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives H. LUNDBECK A/S (DK) 2008-06-12 — — US disclosed
US-7329656-B2 Arylthiobenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2008-02-12 — — US disclosed
EP-1799223-A4 ARYLTHIOBENZYLPIPERIDINE DERIVATES LUNDBECK & CO AS H (DK) 2008-01-23 — — EP disclosed
EP-1799223-A2 ARYLTHIOBENZYLPIPERIDINE DERIVATES H.Lundbeck A/S (DK) 2007-06-27 — — EP disclosed
WO-2006041635-A2 ARYLTHIOBENZYLPIPERIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-04-20 — — WO disclosed
US-20060079683-A1 Arylthiobenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2006-04-13 — — US disclosed
US-20060079523-A1 N-[3-(1-{[4-(4-fluorophenylthio)phenyl]methyl}(4-piperidyl))-4-methylphenyl]-2-methylpropanamide; melatonin-concentrating hormone (MCH1) receptor ligand; antidepressant, anxiolytic, antidiabetic agent H. LUNDBECK A/S 2006-04-13 — — 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 (3 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-20060079523-A1 N-[3-(1-{[4-(4-fluorophenylthio)phenyl]methyl}(4-piperidyl))-4-methylphenyl]-2-methylpropanamide; melatonin-concentrating hormone (MCH1) receptor ligand; antidepressant, anxiolytic, antidiabetic agent MCHR1, MTNR1A, MTNR1B DRD2 156/4885ADRA1A 75/4885ACHE 2866/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 DRD2 210/4885ADRA1A 54/4885ACHE 2682/4885
US-20060079683-A1 Arylthiobenzylpiperidine derivatives MCHR1, MC4R, MCHR2 DRD2 217/4885ADRA1A 50/4885ACHE 2608/4885

“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.