SCHEMBL3023616

SCHEMBL3023616

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(Cc2cccnc2)CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 3/20 0.51
DCUN1D1 Q96GG9 3/20 0.51
FAAH O00519 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 1/20 0.47
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TACR1 P25103 1/20 0.44
CCR2 P41597 1/20 0.44
KCNH2 Q12809 1/20 0.44
GAA P10253 1/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL13243604 0.95 UBE2M (0.49) UBE2MDCUN1D1FAAHKDM4ETDP1
SCHEMBL3038611 0.90 FAAH (0.49) FAAHKDM4ETDP1TSHRLMNA
SCHEMBL3038625 0.90 ALDH1A1 (0.53) UBE2MDCUN1D1FAAHHPGDTSHR
SCHEMBL14222035 0.88 KDM4E (0.47) UBE2MDCUN1D1FAAHKDM4ETSHR
SCHEMBL3038767 0.84 MCHR1 (0.57) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL13222899 0.84 TACR1 (0.45) UBE2MDCUN1D1LMNASMN1; SMN2ALDH1A1
SCHEMBL3038616 0.82 TACR1 (0.47) UBE2MDCUN1D1TSHRMEN1KMT2A
SCHEMBL3033257 0.82 ALDH1A1 (0.48) KDM4ETDP1HPGDTSHRLMNA
SCHEMBL3033473 0.81 CCR2 (0.48) LMNATACR1CCR2KCNH2NAMPT
SCHEMBL3043043 0.80 MEN1 (0.48) UBE2MDCUN1D1TSHRMEN1KMT2A

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 3 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

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 UBE2M 4733/4885DCUN1D1 3037/4885FAAH 253/4885

“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.