SCHEMBL3987455

SCHEMBL3987455

CCN1C[C@H](C)n2c(c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)nc(N)c32)C1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.34
HTR2A P28223 1/20 0.34
PTGER4 P35408 1/20 0.32
TRAP1 Q12931 1/20 0.32
P2RX7 Q99572 6/20 0.32
PDE1B Q01064 1/20 0.32
SOS1 Q07889 1/20 0.31
KCNJ6 P48051 2/20 0.31
KCNJ5 P48544 2/20 0.31
KCNJ3 P48549 2/20 0.31
BRD9 Q9H8M2 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL13846608 1.00 GRM2 (0.34) GRM2HTR2APTGER4TRAP1P2RX7
SCHEMBL3985769 0.92 GRM2 (0.35) GRM2HTR2APTGER4P2RX7PDE1B
SCHEMBL3985796 0.90 P2RX7 (0.34) GRM2HTR2AP2RX7
SCHEMBL3985645 0.90 P2RX7 (0.34) GRM2HTR2AP2RX7
SCHEMBL3984310 0.88 P2RX7 (0.33) GRM2HTR2APTGER4TRAP1P2RX7
SCHEMBL3985059 0.87 GRM2 (0.31) GRM2HTR2A
SCHEMBL3984882 0.87 PTGER4 (0.34) GRM2HTR2APTGER4KCNJ6KCNJ5
SCHEMBL26076726 0.87 PTGER4 (0.34) GRM2HTR2APTGER4KCNJ6KCNJ5
SCHEMBL10347552 0.87 PTGER4 (0.34) GRM2HTR2APTGER4KCNJ6KCNJ5
SCHEMBL3991472 0.86 AR (0.32) GRM2HTR2APTGER4P2RX7KCNJ6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP claimed
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
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-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
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 GRM2 4663/4885HTR2A 2660/4885PTGER4 2608/4885

“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.