SCHEMBL3985290

SCHEMBL3985290

CN1CCn2c(c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)nc(C(=O)NC4CC4)c32)C1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.40
CNR1 P21554 5/20 0.40
PDE4B Q07343 6/20 0.39
PDE4A P27815 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 3/20 0.39
BRD4 O60885 1/20 0.35
MCHR1 Q99705 1/20 0.35
PTGER4 P35408 1/20 0.35
FAAH O00519 1/20 0.34
FSCN1 Q16658 1/20 0.34

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
SCHEMBL3984446 0.91 PTGER4 (0.37) CNR2PDE4BPDE4APDE4CPDE4D
SCHEMBL3987210 0.90 PDE4A (0.38) CNR2PDE4BPDE4APDE4CPDE4D
SCHEMBL3991044 0.89 PTGER4 (0.36) CNR2CNR1PTGER4FSCN1
SCHEMBL3987232 0.88 PTGER4 (0.35) CNR2PTGER4FSCN1
SCHEMBL3985759 0.87 POLB (0.36) CNR2PTGER4FSCN1
SCHEMBL3988126 0.87 PTGER4 (0.34) CNR2PTGER4FSCN1
SCHEMBL3986816 0.87 MEN1 (0.42) CNR2PDE4BPDE4APDE4CPTGER4
SCHEMBL3985873 0.87 PTGER4 (0.36) CNR2PDE4BPDE4APDE4CPTGER4
SCHEMBL3984637 0.86 ALDH1A1 (0.36) CNR2PTGER4FSCN1
SCHEMBL3982488 0.86 PTGER4 (0.33) CNR2PTGER4FSCN1

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-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP CNR2 4598/4885CNR1 4028/4885PDE4B 820/4885

“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.