SCHEMBL3857968

SCHEMBL3857968

COc1cc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2Cl)ccc1OCCN1CCC(OC)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.45
HTR2C P28335 5/20 0.45
MCHR1 Q99705 7/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
MAPK14 Q16539 1/20 0.39
QPCT Q16769 1/20 0.39
RAF1 P04049 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
SCHEMBL3866529 0.93 HTR2A (0.44) HTR2AHTR2CMCHR1KDM4EMEN1
SCHEMBL3863359 0.92 MCHR1 (0.43) HTR2AHTR2CMCHR1KDM4EMEN1
SCHEMBL3862748 0.89 HTR2A (0.49) HTR2AHTR2CMCHR1MEN1KMT2A
SCHEMBL3857754 0.87 KDM4E (0.45) MCHR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3863730 0.86 LMNA (0.45) HTR2AHTR2CKDM4EMEN1ALDH1A1
SCHEMBL3863706 0.85 HTR2A (0.43) HTR2AHTR2CMCHR1ALDH1A1FLT1
SCHEMBL3862545 0.84 MCHR1 (0.40) MCHR1KMT2A
SCHEMBL13683465 0.84 KMT2A (0.49) HTR2AMCHR1KDM4EMEN1ALDH1A1
Formic Acid SCHEMBL3863365 0.83 KMT2A (0.47) MCHR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL13683467 0.81 MCHR1 (0.43) HTR2CMCHR1KDM4EMEN1KMT2A

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 HTR2A 565/4885HTR2C 1085/4885MCHR1 1/4885

“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.