SCHEMBL4808233

SCHEMBL4808233

Cc1ccc(NC(=O)C2CCNCC2)cc1C1CCN(Cc2ccc(Sc3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.57
ADRA1A P35348 3/20 0.57
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
CTNNB1 P35222 2/20 0.41
TCF7L2 Q9NQB0 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CCR3 P51677 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
ACKR3 P25106 2/20 0.39
DRD4 P21917 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
MLNR O43193 2/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL4617067 0.92 HSP90AA1 (0.50) DRD2ADRA1AHSP90AA1HSP90AB1CTNNB1
SCHEMBL4617355 0.88 HSP90AA1 (0.52) DRD2ADRA1AHSP90AA1HSP90AB1CTNNB1
Hydrochloric Acid SCHEMBL4857498 0.86 DRD2 (0.74) DRD2ADRA1AHSP90AA1HSP90AB1
SCHEMBL4615785 0.85 DRD2 (0.58) DRD2ADRA1AALDH1A1DRD4TMEM97
SCHEMBL4808236 0.84 DRD2 (0.57) DRD2ADRA1AALDH1A1DRD4TMEM97
SCHEMBL4617186 0.83 HSP90AA1 (0.46) DRD2ADRA1AHSP90AA1HSP90AB1CTNNB1
Hydrochloric Acid SCHEMBL4854154 0.82 DRD2 (0.61) DRD2ADRA1AHSP90AA1HSP90AB1F10
SCHEMBL4615215 0.81 HSP90AA1 (0.49) DRD2ADRA1AHSP90AA1HSP90AB1CTNNB1
SCHEMBL4615438 0.79 DRD2 (0.69) DRD2ADRA1A
SCHEMBL4617177 0.79 DRD2 (0.54) DRD2ADRA1AALDH1A1

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 4 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
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 75/4885HSP90AA1 3867/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 DRD2 210/4885ADRA1A 54/4885HSP90AA1 2353/4885
US-20060079683-A1 Arylthiobenzylpiperidine derivatives MCHR1, MC4R, MCHR2 DRD2 217/4885ADRA1A 50/4885HSP90AA1 2541/4885

“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.