SCHEMBL196768

SCHEMBL196768

NC(=O)C1(c2ccccc2)CC1c1cc(C(=O)O)n2c(Cc3ccc(C(F)(F)F)cc3)cc(F)cc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 3/20 0.36
TACR1 P25103 2/20 0.32
IDH1 O75874 2/20 0.32
PTGER4 P35408 2/20 0.32
SRD5A2 P31213 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CYP3A4 P08684 3/20 0.31
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
NAMPT P43490 1/20 0.31
CCR9 P51686 1/20 0.31
DRD4 P21917 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN9A Q15858 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL3223346 0.69 SRD5A2 (0.44) IDH1SRD5A2CCR9
SCHEMBL196767 0.66 PTGER4 (0.43) TACR3TACR1PTGER4THRB
SCHEMBL22633322 0.66 CCR9 (0.43) IDH1SRD5A2KDM4ECCR9
SCHEMBL196361 0.64 PTGER4 (0.44) TACR3TACR1PTGER4
SCHEMBL6628664 0.60 CHRM1 (0.56) MAPK1
SCHEMBL21222752 0.58 PDE4A (0.48) TACR1PTGER4SRD5A2CCR9KCNH2
SCHEMBL5342046 0.57 MAOB (0.47)
SCHEMBL18440466 0.57 IDH1 (0.49) IDH1SRD5A2DRD4
SCHEMBL4217582 0.56 CCR2 (0.70) KDM4ECCR9
SCHEMBL4208025 0.55 CCR2 (0.74) CCR9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500211-A 2012-01-05 JP claimed
US-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists BETA PHARMA CANADA INC. (CA) 2011-06-09 US claimed
EP-2320906-A1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Beta Pharma Canada Inc. (CA) 2011-05-18 EP claimed

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-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists PTGER4, PTGER1, PTGER2 TACR3 1451/4885TACR1 307/4885IDH1 3174/4885

“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.