SCHEMBL5440352

SCHEMBL5440352

CC1CCN(Cc2ccc(NCCCc3ccc(-c4ccc(Cl)cc4)cc3)nc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.54
CHRM1 P11229 4/20 0.54
HTR2A P28223 4/20 0.54
HRH3 Q9Y5N1 3/20 0.52
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
LSS P48449 2/20 0.41
ACHE P22303 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CYP2D6 P10635 1/20 0.40
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
ENPP2 Q13822 2/20 0.39
BACE1 P56817 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
SCHEMBL5457285 0.85 MCHR1 (0.54) MCHR1CHRM1HTR2ARAB9ALSS
SCHEMBL5426586 0.85 MCHR1 (0.74) MCHR1CHRM1HTR2AHRH3MITF
SCHEMBL5433383 0.84 MCHR1 (0.53) MCHR1CHRM1HTR2AHRH3LSS
SCHEMBL14504828 0.82 MCHR1 (0.53) MCHR1CHRM1HTR2ALSSDRD2
SCHEMBL17828163 0.74 HRH3 (0.55) HRH3ACHE
SCHEMBL156202 0.74 HRH3 (0.76) HRH3MITFRAB9AACHESIGMAR1
SCHEMBL4591998 0.73 MCHR1 (0.78) MCHR1CHRM1HTR2A
SCHEMBL4592745 0.73 MCHR1 (0.43) MCHR1CHRM1HTR2ARAB9ADRD2
SCHEMBL4592039 0.71 HRH3 (0.63) HRH3ACHE
SCHEMBL4519598 0.71 MCHR1 (0.56) MCHR1CHRM1HTR2AHRH3MITF

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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MCHR1 1/4885CHRM1 84/4885HTR2A 66/4885

“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.