SCHEMBL3033014

SCHEMBL3033014

CC(C)CC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(Cc2ccco2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.49
USP2 O75604 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 1/20 0.48
SRPK1 Q96SB4 1/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.42
TACR1 P25103 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
SCHEMBL3033257 0.82 ALDH1A1 (0.48) CCR2ALDH1A1TSHRSMN1; SMN2TACR1
SCHEMBL3033586 0.81 SMN1; SMN2 (0.47) CCR2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13222917 0.81 CCR2 (0.47) CCR2USP2ALDH1A1CYP2D6TSHR
SCHEMBL3034310 0.81 KMT2A (0.48) CCR2USP2ALDH1A1CYP2D6TSHR
SCHEMBL3029890 0.81 CCR2 (0.51) CCR2CYP3A4
SCHEMBL3039489 0.81 CYP2D6 (0.45) CCR2USP2ALDH1A1CYP2D6TSHR
SCHEMBL14222033 0.80 MAPT (0.48) CCR2USP2CYP2D6TSHRCYP2C19
SCHEMBL3039147 0.80 CYP2D6 (0.46) CCR2USP2ALDH1A1CYP2D6TSHR
SCHEMBL3042078 0.80 TSHR (0.46) CCR2USP2ALDH1A1CYP2D6TSHR
SCHEMBL3039119 0.79 CCR2 (0.43) CCR2USP2CYP2D6TSHRCYP2C19

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 CCR2 1/4885USP2 3932/4885ALDH1A1 1247/4885

“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.