SCHEMBL6424875

SCHEMBL6424875

Cc1c(C(C(=O)O)C2CCC2)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
TACR3 P29371 6/20 0.35
TACR2 P21452 4/20 0.35
TACR1 P25103 3/20 0.35
KCNH2 Q12809 1/20 0.34
MGLL Q99685 3/20 0.32
F10 P00742 1/20 0.32
ACKR3 P25106 1/20 0.31
NR1H4 Q96RI1 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD11B1 P28845 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
FAAH O00519 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
SCHEMBL6424012 0.98 PDE2A (0.35) PDE2ATACR3TACR2TACR1KCNH2
SCHEMBL6424443 0.94 HSD11B1 (0.37) CYP3A4CYP2D6HSD11B1
SCHEMBL6425459 0.93 TSHR (0.38) KCNH2NR1H4CYP3A4CYP2D6CYP2C9
SCHEMBL6427479 0.93 MEN1 (0.36) PDE2ATACR3TACR2KCNH2MGLL
SCHEMBL6423103 0.91 AKR1C3 (0.39) KCNH2MGLLNR1H4CYP3A4CYP2D6
SCHEMBL6427372 0.91 MEN1 (0.36) PDE2AKCNH2MGLLNR1H4CYP3A4
SCHEMBL6426945 0.90 PDE2A (0.35) PDE2ATACR3TACR2TACR1KCNH2
SCHEMBL6423869 0.89 AKR1C3 (0.39) KCNH2NR1H4CYP3A4CYP2D6CYP2C9
SCHEMBL6423582 0.88 PDE2A (0.35) PDE2ATACR3TACR2TACR1KCNH2
SCHEMBL6426725 0.88 ALDH1A1 (0.37) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PDE2A 846/4885TACR3 3985/4885TACR2 2967/4885

“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.