SCHEMBL6381920

SCHEMBL6381920

Clc1ccc(-c2ccc3nc(C#Cc4ccc(CCNC5CCOCC5)cc4)ccc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.39
SLC2A1 P11166 1/20 0.35
BACE1 P56817 1/20 0.35
MAPK1 P28482 3/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
MAPK3 P27361 1/20 0.34
OPRL1 P41146 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CHRM1 P11229 1/20 0.32
HTR2A P28223 1/20 0.32
RPS6KA1 Q15418 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
KCNH2 Q12809 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31

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
SCHEMBL5155292 0.81 NPC1 (0.39) MCHR1BACE1CHRM1HTR2AHRH3
SCHEMBL4481015 0.74 MCHR1 (0.62) MCHR1CHRM1HTR2A
SCHEMBL2325485 0.73 MCHR1 (0.54) MCHR1BACE1CHRM1HTR2AKCNH2
SCHEMBL5154531 0.71 MCHR1 (0.35) MCHR1BACE1CHRM1HTR2A
SCHEMBL2322808 0.69 BACE1 (0.46) MCHR1BACE1CHRM1HTR2A
SCHEMBL2322357 0.65 MCHR1 (0.71) MCHR1CHRM1HTR2A
SCHEMBL13887268 0.63 MCHR1 (0.41) MCHR1CHRM1HTR2AKCNH2
SCHEMBL2328403 0.63 NPC1 (0.46) MCHR1MAPK1CHRM1HTR2AHRH3
SCHEMBL2106918 0.62 GRIN2B (0.65) OPRL1
SCHEMBL8821375 0.60 KMT2A (0.48)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239826-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 US claimed

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-20050239826-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, GPR119 MCHR1 1/4885SLC2A1 793/4885BACE1 4276/4885

“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.