SCHEMBL3033742

SCHEMBL3033742

CC(C)NC(=O)C1(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
HTT P42858 1/20 0.48
TACR1 P25103 1/20 0.47
GAA P10253 1/20 0.46
MCHR1 Q99705 4/20 0.46
MAPT P10636 2/20 0.46
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.44
KMT2A Q03164 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
SCHEMBL3028682 0.83 MCHR1 (0.49) ALDH1A1KDM4ETDP1HTTTACR1
SCHEMBL3028685 0.83 MCHR1 (0.49) ALDH1A1KDM4ETDP1HTTTACR1
SCHEMBL3030479 0.83 MCHR1 (0.49) ALDH1A1KDM4ETDP1HTTTACR1
SCHEMBL3038625 0.82 ALDH1A1 (0.53) ALDH1A1TACR1GAAMCHR1UBE2M
SCHEMBL14221696 0.82 USP2 (0.43) ALDH1A1MCHR1SMN1; SMN2
SCHEMBL3033257 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1HTTTACR1
SCHEMBL3038767 0.81 MCHR1 (0.57) ALDH1A1KDM4ETDP1TACR1GAA
SCHEMBL3038611 0.81 FAAH (0.49) ALDH1A1KDM4ETDP1TACR1GAA
SCHEMBL13222951 0.80 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1HTTMCHR1
SCHEMBL13222899 0.79 TACR1 (0.45) ALDH1A1TACR1GAAMCHR1UBE2M

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 2 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

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 ALDH1A1 1247/4885KDM4E 3492/4885TDP1 3840/4885

“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.