SCHEMBL3859191

SCHEMBL3859191

CC1CCN(CCc2ccc(NC(=O)C#Cc3ccc(C(F)(F)F)cc3Cl)cc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.44
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DCUN1D1 Q96GG9 2/20 0.38
CCR2 P41597 1/20 0.38
ACHE P22303 1/20 0.38
MAPK1 P28482 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 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
SCHEMBL3857271 0.91 DCUN1D1 (0.47) TRPV1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3866316 0.87 TRPV1 (0.41) TRPV1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3863730 0.86 LMNA (0.45) TRPV1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL13683425 0.84 KDM4E (0.46) KMT2AMEN1KDM4E
SCHEMBL3861755 0.82 TRPV1 (0.46) TRPV1L3MBTL1CHRM4CHRM5CHRM1
SCHEMBL3866529 0.82 HTR2A (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1ACHE
SCHEMBL3861757 0.81 TRPV1 (0.48) TRPV1ACACB
SCHEMBL3857471 0.81 TRPV1 (0.45) TRPV1ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL3859115 0.80 KDM4E (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL4008953 0.80 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A

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 TRPV1 1200/4885ALDH1A1 4302/4885SMN1; SMN2 2771/4885

“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.