SCHEMBL1386053

SCHEMBL1386053

CC1CN(C)C(=O)c2c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)ncc3n21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.35
MITF O75030 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPBWR1 P48145 4/20 0.35
PDE1B Q01064 1/20 0.34
GRM2 Q14416 2/20 0.34
HTR2A P28223 1/20 0.34
P2RX7 Q99572 5/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL13842706 0.90 GRM2 (0.35) FSCN1TDP1HTTMITFPKM
SCHEMBL13842813 0.90 GRM2 (0.35) FSCN1TDP1HTTMITFPKM
SCHEMBL3985644 0.89 PKM (0.41) TDP1HTTMITFPKMRAB9A
SCHEMBL3985769 0.74 GRM2 (0.35) PDE1BGRM2HTR2AP2RX7PTGER4
SCHEMBL13846608 0.73 GRM2 (0.34) PDE1BGRM2HTR2AP2RX7PTGER4
SCHEMBL3987455 0.73 GRM2 (0.34) PDE1BGRM2HTR2AP2RX7PTGER4
SCHEMBL3984310 0.72 P2RX7 (0.33) PDE1BGRM2HTR2AP2RX7PTGER4
SCHEMBL1384303 0.72 PKM (0.42) HTTPKMALDH1A1SMN1; SMN2
SCHEMBL3991472 0.71 AR (0.32) GRM2HTR2AP2RX7PTGER4
SCHEMBL3983463 0.71 PKM (0.44) TDP1HTTMITFPKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4824673-B2 2011-11-30 JP 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-A2 HIV INTEGRASE INHIBITORS Merck and Co., Inc. (US) 2007-02-28 EP claimed
WO-2005110414-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-11-24 WO 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-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
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 FSCN1 4865/4885TDP1 91/4885HTT 3280/4885

“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.