SCHEMBL3038767

SCHEMBL3038767

COc1ccc(CC2(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCN(Cc3ccc4c(c3)OCO4)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.57
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KCNH2 Q12809 3/20 0.48
CACNA1G O43497 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TACR1 P25103 1/20 0.45

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
SCHEMBL3038625 0.90 ALDH1A1 (0.53) MCHR1ALDH1A1KMT2AMEN1GAA
SCHEMBL3038611 0.88 FAAH (0.49) MCHR1CYP3A4ALDH1A1GAAKDM4E
SCHEMBL13222899 0.85 TACR1 (0.45) MCHR1ALDH1A1GAATACR1
SCHEMBL3033257 0.85 ALDH1A1 (0.48) MCHR1ALDH1A1KDM4ETDP1TACR1
SCHEMBL3023616 0.84 UBE2M (0.51) ALDH1A1KCNH2KMT2AMEN1GAA
SCHEMBL3029505 0.83 TACR1 (0.51) MCHR1ALDH1A1KDM4ETDP1TACR1
SCHEMBL3038616 0.83 TACR1 (0.47) MCHR1ALDH1A1KMT2AMEN1TACR1
SCHEMBL3043043 0.82 MEN1 (0.48) MCHR1ALDH1A1KMT2AMEN1TACR1
SCHEMBL3033742 0.81 ALDH1A1 (0.52) MCHR1ALDH1A1KMT2AGAAKDM4E
SCHEMBL3041690 0.80 CCR2 (0.46) MCHR1ALDH1A1KMT2AMEN1TACR1

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-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 US claimed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 US disclosed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 US disclosed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 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-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE CCR2, CCR1, CCR5 MCHR1 325/4885CYP3A4 1097/4885ALDH1A1 1247/4885

“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.