SCHEMBL3628448

SCHEMBL3628448

NC(=O)c1ncc2c(cc(OC3CCCCO3)n2Cc2ccc(F)cc2)c1CCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
GRM2 Q14416 4/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.33
S1PR3 Q99500 1/20 0.33
TP53 P04637 2/20 0.33
PDE1C Q14123 3/20 0.33
PDE1A P54750 2/20 0.33
PDE1B Q01064 2/20 0.33
POLB P06746 1/20 0.33
PDE2A O00408 1/20 0.32
TBXA2R P21731 2/20 0.32
FAAH O00519 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ABHD12 Q8N2K0 1/20 0.32
GRIN2B Q13224 1/20 0.32
NR1I2 O75469 1/20 0.32

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
SCHEMBL3628450 0.76 GRM2 (0.33) L3MBTL1GRM2ICAM1SELEHPGD
SCHEMBL3495191 0.75 MAOB (0.35) L3MBTL1HPGDMAPTTP53POLB
SCHEMBL3494864 0.71 CNR2 (0.35) L3MBTL1HPGDMAPTTP53PDE1C
SCHEMBL3495643 0.61 EGLN1 (0.43) MAPTCNR2
SCHEMBL11770956 0.60 ALDH1A1 (0.41)
SCHEMBL24041868 0.59 MEN1 (0.47) KCNH2
SCHEMBL6513744 0.59 MAPT (0.40) L3MBTL1GRM2MAPTTP53POLB
SCHEMBL5307524 0.59 EGLN1 (0.43) GRM2POLB
SCHEMBL7776352 0.58 TRPA1 (0.44) L3MBTL1HPGDPOLB
SCHEMBL7236815 0.58 TRPA1 (0.44) L3MBTL1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 US disclosed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 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-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP L3MBTL1 1389/4885GRM2 4831/4885ICAM1 880/4885

“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.