SCHEMBL3038625

SCHEMBL3038625

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(Cc2ccccc2)CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 1/20 0.51
UBE2M P61081 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
MCHR1 Q99705 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
TACR1 P25103 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 3/20 0.47
FAAH O00519 1/20 0.47
CCR3 P51677 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FABP1 P07148 1/20 0.46
FABP6 P51161 1/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 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
SCHEMBL3038611 0.91 FAAH (0.49) ALDH1A1GAALMNAMCHR1TACR1
SCHEMBL3023616 0.90 UBE2M (0.51) ALDH1A1GAALMNAUBE2MDCUN1D1
SCHEMBL3038767 0.90 MCHR1 (0.57) ALDH1A1GAAMCHR1TACR1MEN1
SCHEMBL13222899 0.88 TACR1 (0.45) ALDH1A1GAALMNAUBE2MDCUN1D1
SCHEMBL14222296 0.87 KDM4E (0.53) ALDH1A1GAAUBE2MDCUN1D1TACR1
SCHEMBL3038616 0.86 TACR1 (0.47) ALDH1A1LMNAUBE2MDCUN1D1MCHR1
SCHEMBL3033257 0.86 ALDH1A1 (0.48) ALDH1A1LMNAMCHR1TACR1L3MBTL1
SCHEMBL13243604 0.86 UBE2M (0.49) ALDH1A1GAALMNAUBE2MDCUN1D1
SCHEMBL3043043 0.84 MEN1 (0.48) ALDH1A1LMNAUBE2MDCUN1D1MCHR1
SCHEMBL3029505 0.84 TACR1 (0.51) ALDH1A1LMNAMCHR1TACR1L3MBTL1

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 ALDH1A1 1247/4885GAA 3620/4885LMNA 2736/4885

“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.