SCHEMBL3039477

SCHEMBL3039477

CC(C)CC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(c2ccccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
TSHR P16473 3/20 0.52
CCR2 P41597 10/20 0.49
CYP2D6 P10635 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 2/20 0.45
KCNH2 Q12809 2/20 0.44
TACR1 P25103 2/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPV1 Q8NER1 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
SCHEMBL3029890 0.77 CCR2 (0.51) CCR2CYP3A4
SCHEMBL3033014 0.76 CCR2 (0.49) SMN1; SMN2TSHRCCR2CYP2D6ALDH1A1
SCHEMBL3038764 0.76 CCR2 (0.48) CCR2CYP3A4KCNH2
SCHEMBL4797150 0.76 TACR1 (0.59) CCR2CYP3A4TACR1
SCHEMBL3039489 0.76 CYP2D6 (0.45) TSHRCCR2CYP2D6ALDH1A1CYP3A4
SCHEMBL5728946 0.74 CCR2 (0.50) CCR2CYP3A4TACR1
SCHEMBL3039119 0.74 CCR2 (0.43) TSHRCCR2CYP2D6CYP3A4CYP1A2
SCHEMBL13222917 0.74 CCR2 (0.47) TSHRCCR2CYP2D6ALDH1A1CYP3A4
SCHEMBL3034310 0.74 KMT2A (0.48) SMN1; SMN2TSHRCCR2CYP2D6ALDH1A1
SCHEMBL3033257 0.73 ALDH1A1 (0.48) SMN1; SMN2TSHRCCR2ALDH1A1HPGD

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 3522/4885TSHR 1158/4885CCR2 1/4885

“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.