SCHEMBL3866529

SCHEMBL3866529

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.44
HTR2C P28335 5/20 0.44
MCHR1 Q99705 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ACHE P22303 1/20 0.44
MAPK1 P28482 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
KCNT1 Q5JUK3 1/20 0.42
KCNT2 Q6UVM3 1/20 0.42
MET P08581 2/20 0.41
HTR2B P41595 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL3857968 0.93 HTR2A (0.45) HTR2AHTR2CMCHR1SMN1; SMN2KDM4E
SCHEMBL3863730 0.93 LMNA (0.45) HTR2AHTR2CSMN1; SMN2ACHEMAPK1
SCHEMBL3863359 0.92 MCHR1 (0.43) HTR2AHTR2CMCHR1SMN1; SMN2KDM4E
SCHEMBL3857754 0.91 KDM4E (0.45) MCHR1KCNT1KCNT2KDM4EMEN1
SCHEMBL3862748 0.90 HTR2A (0.49) HTR2AHTR2CMCHR1MEN1KMT2A
SCHEMBL13683425 0.88 KDM4E (0.46) HTR2AKDM4EMEN1KMT2A
SCHEMBL3863706 0.88 HTR2A (0.43) HTR2AHTR2CMCHR1MAPK1HTR2B
SCHEMBL13683465 0.85 KMT2A (0.49) HTR2AMCHR1KDM4EMEN1ALDH1A1
SCHEMBL3862545 0.85 MCHR1 (0.40) MCHR1CYP2D6KMT2A
Formic Acid SCHEMBL3863365 0.83 KMT2A (0.47) MCHR1ACHEKDM4EMEN1ALDH1A1

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.