SCHEMBL3028682

SCHEMBL3028682

CC(C)CC1(C(=O)N[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
HTT P42858 1/20 0.48
TACR1 P25103 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3030479 1.00 MCHR1 (0.49) MCHR1ALDH1A1KDM4ETDP1HTT
SCHEMBL3028685 1.00 MCHR1 (0.49) MCHR1ALDH1A1KDM4ETDP1HTT
SCHEMBL14221698 0.87 KDM4E (0.47) MCHR1ALDH1A1KDM4ETACR1SMN1; SMN2
SCHEMBL14222047 0.87 KDM4E (0.47) MCHR1ALDH1A1KDM4ETACR1SMN1; SMN2
SCHEMBL3033257 0.87 ALDH1A1 (0.48) MCHR1ALDH1A1KDM4ETDP1HTT
SCHEMBL3033742 0.83 ALDH1A1 (0.52) MCHR1ALDH1A1KDM4ETDP1HTT
SCHEMBL3033033 0.82 CYP3A4 (0.49) MCHR1ALDH1A1KDM4ETDP1HTT
SCHEMBL13243602 0.82 ALDH1A1 (0.46) MCHR1ALDH1A1KDM4ETDP1HTT
SCHEMBL3034263 0.81 PPARG (0.53) MCHR1ALDH1A1KDM4ETDP1HTT
SCHEMBL3042039 0.76 MAPT (0.52) ALDH1A1KDM4ETDP1HTTPOLB

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 325/4885ALDH1A1 1247/4885KDM4E 3492/4885

“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.