SCHEMBL3023285

SCHEMBL3023285

CC(C)CC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
CCR2 P41597 5/20 0.42
KCNH2 Q12809 5/20 0.41
METAP2 P50579 1/20 0.40
CACNA1G O43497 2/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 3/20 0.40
USP2 O75604 3/20 0.40
HIF1A Q16665 1/20 0.40
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL14222520 0.92 PTGER4 (0.41) PTGER4EPHX2NR1H4CCR2KCNH2
SCHEMBL13222917 0.78 CCR2 (0.47) CCR2KCNH2TSHRCYP3A4USP2
SCHEMBL3034310 0.78 KMT2A (0.48) CCR2KCNH2CACNA1GTSHRCYP3A4
SCHEMBL3788741 0.78 CCR2 (0.42) CCR2KCNH2TSHRCYP3A4USP2
SCHEMBL3039489 0.78 CYP2D6 (0.45) CCR2KCNH2CACNA1GTSHRCYP3A4
SCHEMBL3033257 0.77 ALDH1A1 (0.48) CCR2TSHRALDH1A1SMN1; SMN2
SCHEMBL3033014 0.77 CCR2 (0.49) CCR2KCNH2TSHRCYP3A4USP2
SCHEMBL3039147 0.77 CYP2D6 (0.46) CCR2KCNH2CACNA1GTSHRCYP3A4
SCHEMBL3042078 0.77 TSHR (0.46) CCR2KCNH2CACNA1GTSHRCYP3A4
SCHEMBL3039119 0.76 CCR2 (0.43) CCR2KCNH2TSHRCYP3A4USP2

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
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 WO 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 PTGER4 627/4885EPHX2 1962/4885NR1H4 174/4885

“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.