SCHEMBL4808236

SCHEMBL4808236

Cc1ccc(NC(=O)N2CC[CH]CC2)cc1C1CCN(Cc2ccc(Sc3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.57
ADRA1A P35348 3/20 0.57
KDM4E B2RXH2 1/20 0.43
ALOX12 P18054 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NLRP3 Q96P20 1/20 0.41
FAAH O00519 2/20 0.40
MCHR1 Q99705 3/20 0.39
HTR2C P28335 1/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD4 P21917 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4617069 0.92 SMN1; SMN2 (0.50) DRD2ADRA1AKDM4EALOX12SMN1; SMN2
SCHEMBL4617356 0.88 DRD2 (0.51) DRD2ADRA1ASMN1; SMN2FAAHMCHR1
Hydrochloric Acid SCHEMBL4857501 0.86 DRD2 (0.74) DRD2ADRA1AKDM4EALOX12LMNA
SCHEMBL4615785 0.85 DRD2 (0.58) DRD2ADRA1ASMN1; SMN2HTTDRD4
SCHEMBL4808233 0.84 DRD2 (0.57) DRD2ADRA1ADRD4TMEM97SIGMAR1
SCHEMBL4617188 0.83 DRD2 (0.43) DRD2ADRA1ASMN1; SMN2NLRP3FAAH
Hydrochloric Acid SCHEMBL4854158 0.82 DRD2 (0.61) DRD2ADRA1AKDM4EALOX12LMNA
SCHEMBL4615218 0.81 CA12 (0.52) DRD2ADRA1AKDM4EALOX12SMN1; SMN2
SCHEMBL5319996 0.80 DRD2 (0.52) DRD2ADRA1ALMNADRD4TMEM97
SCHEMBL4615438 0.79 DRD2 (0.69) DRD2ADRA1ATP53MAPT

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 75/4885KDM4E 550/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 DRD2 210/4885ADRA1A 54/4885KDM4E 2306/4885
US-20060079683-A1 Arylthiobenzylpiperidine derivatives MCHR1, MC4R, MCHR2 DRD2 217/4885ADRA1A 50/4885KDM4E 2394/4885

“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.