SCHEMBL3029505

SCHEMBL3029505

CC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.51
MCHR1 Q99705 4/20 0.49
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 6/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARG P37231 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.45
HTT P42858 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
SCHEMBL3033257 0.86 ALDH1A1 (0.48) TACR1MCHR1LMNASMN1; SMN2TSHR
SCHEMBL3034168 0.85 HTT (0.47) TACR1MCHR1LMNASMN1; SMN2TSHR
SCHEMBL3038616 0.84 TACR1 (0.47) TACR1MCHR1LMNASMN1; SMN2TSHR
SCHEMBL3038625 0.84 ALDH1A1 (0.53) TACR1MCHR1LMNATSHRALDH1A1
SCHEMBL3038767 0.83 MCHR1 (0.57) TACR1MCHR1ALDH1A1KDM4ETDP1
SCHEMBL3038611 0.83 FAAH (0.49) TACR1MCHR1LMNASMN1; SMN2TSHR
SCHEMBL3043043 0.83 MEN1 (0.48) TACR1MCHR1LMNASMN1; SMN2TSHR
SCHEMBL3033452 0.82 MEN1 (0.57) MCHR1LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL3041690 0.82 CCR2 (0.46) TACR1MCHR1LMNASMN1; SMN2TSHR
SCHEMBL3033033 0.82 CYP3A4 (0.49) TACR1MCHR1ALDH1A1PPARGKDM4E

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 TACR1 539/4885MCHR1 325/4885LMNA 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.