SCHEMBL3857788

SCHEMBL3857788

CCN(CC)CCOc1ccc(CNC(=O)C#Cc2ccc(C)cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
ACACB O00763 3/20 0.46
EBP Q15125 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ADAM17 P78536 2/20 0.41
MMP9 P14780 2/20 0.41
MMP3 P08254 1/20 0.41
CHRM2 P08172 1/20 0.39
CYP1A2 P05177 1/20 0.39
LTA4H P09960 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 1/20 0.39
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38
FAAH O00519 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 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
SCHEMBL3856301 0.82 ACACB (0.53) HRH3ACACBEBPSIGMAR1MMP9
SCHEMBL3857792 0.80 MCHR1 (0.46) HRH3ACACBEBPSIGMAR1ABL1
SCHEMBL3859098 0.79 CYP2D6 (0.54) HRH3ACACBEBPSIGMAR1CHRM2
SCHEMBL3861887 0.79 MCHR1 (0.59) HRH3ACACBMMP9CYP1A2LTA4H
SCHEMBL3858072 0.77 HRH3 (0.68) HRH3ACACBABL1EGFRPDGFRB
SCHEMBL3867212 0.77 MRGPRX4 (0.44) ACACB
SCHEMBL3857543 0.74 HRH3 (0.66) HRH3ACACBABL1EGFRPDGFRB
SCHEMBL3867230 0.74 HRH3 (0.52) HRH3ACACBCHRM2ABL1EGFR
Hydrochloric Acid SCHEMBL3858022 0.73 HRH3 (0.64) HRH3ACACBABL1EGFRPDGFRB
SCHEMBL13683414 0.73 HRH3 (0.61) HRH3HTTABL1EGFRPDGFRB

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 2 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-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 HRH3 129/4885ACACB 992/4885EBP 39/4885

“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.