Sugi Predict

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SCHEMBL4636221

SCHEMBL4636221

Cc1cc(F)c(N(C=O)C2CC2)cc1C1CCN(Cc2ccc(Sc3ccc(F)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ DRD2 P14416 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ACKR3 P25106 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ MCHR1 Q99705 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
SCHEMBL4803610 0.82 DRD2 (0.41) DRD2ADRA1AMEN1KMT2AKCNH2
SCHEMBL4618247 0.74 DRD2 (0.38) ACHEBCHEDRD2ADRA1AACKR3
SCHEMBL4616753 0.71 DRD2 (0.40) DRD2ADRA1A
SCHEMBL4617031 0.70 MEN1 (0.38) ACHEDRD2ADRA1AMEN1KMT2A
SCHEMBL4617839 0.69 DRD2 (0.69) DRD2ADRA1AMEN1KMT2A
SCHEMBL4618086 0.68 DRD2 (0.47) ACHEBCHEDRD2ADRA1AMEN1
SCHEMBL4636152 0.68 ACHE (0.36) ACHEDRD2ADRA1AMEN1KMT2A
SCHEMBL4616577 0.68 DRD2 (0.55) DRD2ADRA1AMCHR1
SCHEMBL4615165 0.66 PTGIR (0.45) ACHEDRD2ADRA1AACKR3MEN1
SCHEMBL4809354 0.66 DRD2 (0.51) BCHEDRD2ADRA1AACKR3MEN1

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 ACHE 2866/4885BCHE 2516/4885DRD2 156/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 ACHE 2682/4885BCHE 2495/4885DRD2 210/4885
US-20060079683-A1 Arylthiobenzylpiperidine derivatives MCHR1, MC4R, MCHR2 ACHE 2608/4885BCHE 2466/4885DRD2 217/4885

“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.