SCHEMBL3863166

SCHEMBL3863166

CC(C)(O)C1CCN(Cc2ccc(C#CC(=O)Nc3ccc(-c4ccc(Cl)cc4)cc3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.71
MCHR1 Q99705 5/20 0.71
HTR2A P28223 5/20 0.46
TP53 P04637 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
GPR183 P32249 3/20 0.43
DNMT1 P26358 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
CACNA1G O43497 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNH2 Q12809 1/20 0.40
ARG1 P05089 1/20 0.40
ARG2 P78540 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3856766 0.88 CHRM1 (0.77) CHRM1MCHR1HTR2ATP53GPR183
SCHEMBL3865017 0.88 CHRM1 (0.77) CHRM1MCHR1HTR2ATP53GPR183
SCHEMBL3857997 0.87 MCHR1 (0.78) CHRM1MCHR1HTR2ATP53GPR183
SCHEMBL3866261 0.85 CHRM1 (0.73) CHRM1MCHR1HTR2ATP53GPR183
SCHEMBL3857803 0.85 CHRM1 (0.73) CHRM1MCHR1HTR2ATP53GPR183
SCHEMBL3859239 0.85 MCHR1 (0.98) CHRM1MCHR1HTR2AGPR183CACNA1G
SCHEMBL3866522 0.84 MCHR1 (0.80) CHRM1MCHR1HTR2ATP53GPR183
SCHEMBL3867053 0.84 MCHR1 (1.00) CHRM1MCHR1HTR2AGPR183
SCHEMBL3866519 0.84 MCHR1 (1.00) CHRM1MCHR1HTR2AGPR183
SCHEMBL3861798 0.83 MCHR1 (0.79) CHRM1MCHR1HTR2AGPR183CACNA1G

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-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 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 (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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 CHRM1 103/4885MCHR1 1/4885HTR2A 565/4885

“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.