SCHEMBL3033586

SCHEMBL3033586

CC(C)CC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(Cc2cccc3c2OCO3)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
TACR1 P25103 4/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.46
CCR2 P41597 10/20 0.44
GAA P10253 1/20 0.42
KCNH2 Q12809 2/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL3033257 0.86 ALDH1A1 (0.48) SMN1; SMN2TACR1ALDH1A1HTTCCR2
SCHEMBL3034263 0.83 PPARG (0.53) ALDH1A1HTTKCNH2
SCHEMBL13243602 0.82 ALDH1A1 (0.46) SMN1; SMN2TACR1ALDH1A1HTTCCR2
SCHEMBL3033033 0.82 CYP3A4 (0.49) TACR1ALDH1A1HTTCCR2FAAH
SCHEMBL3033014 0.81 CCR2 (0.49) SMN1; SMN2TACR1MEN1ALDH1A1KMT2A
SCHEMBL14222033 0.79 MAPT (0.48) MEN1MAPTKMT2ACCR2FAAH
SCHEMBL13222917 0.79 CCR2 (0.47) ALDH1A1CCR2KCNH2
SCHEMBL3783464 0.78 CCR2 (0.43) ALDH1A1CCR2KCNH2
SCHEMBL3029686 0.77 TSHR (0.43) SMN1; SMN2ALDH1A1NPSR1CCR2KCNH2
SCHEMBL3034310 0.77 KMT2A (0.48) SMN1; SMN2MEN1ALDH1A1KMT2ANPSR1

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 5 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
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 WO 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 SMN1; SMN2 3522/4885TACR1 539/4885MEN1 4753/4885

“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.