SCHEMBL3789103

SCHEMBL3789103

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(CC2CC2)CCN(Cc2ccc3nc[nH]c3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.51
TMEM97 Q5BJF2 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
DRD3 P35462 2/20 0.51
CCR2 P41597 8/20 0.43
CCR3 P51677 1/20 0.42
KCNH2 Q12809 4/20 0.39
TACR1 P25103 1/20 0.39
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
HIF1A Q16665 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3782283 0.83 CCR2 (0.42) CCR2KCNH2TACR1TSHRUSP2
SCHEMBL3782896 0.83 CCR2 (0.44) CCR2KCNH2TACR1TSHRUSP2
SCHEMBL13222974 0.82 CCR2 (0.47) CCR2KCNH2TACR1TSHRUSP2
SCHEMBL3037271 0.80 CCR2 (0.45) CCR2KCNH2TACR1TSHRUSP2
SCHEMBL3034202 0.80 CCR2 (0.45) CCR2KCNH2TACR1TSHRUSP2
SCHEMBL3029479 0.80 CCR2 (0.45) CCR2KCNH2TACR1TSHRUSP2
SCHEMBL3038616 0.80 TACR1 (0.47) SIGMAR1CCR2CCR3TACR1TSHR
SCHEMBL3784983 0.80 CCR2 (0.44) DRD4CCR2KCNH2TACR1TSHR
SCHEMBL3787808 0.79 CCR2 (0.42) DRD4SIGMAR1CCR2KCNH2TACR1
SCHEMBL3038231 0.79 GAA (0.49) CCR2KCNH2TSHRCYP3A4GAA

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-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US disclosed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US disclosed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US disclosed
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 DRD4 2433/4885TMEM97 990/4885SIGMAR1 374/4885

“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.