SCHEMBL1669133

SCHEMBL1669133

CC1(C)OCCn2c1nc(C(=O)NN)c(OCc1ccccc1)c2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
NAAA Q02083 1/20 0.36
TSHR P16473 1/20 0.35
FSHR P23945 1/20 0.35
FAAH O00519 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
ADAM17 P78536 1/20 0.35
CA9 Q16790 1/20 0.34
EGFR P00533 1/20 0.34
SIRT1 Q96EB6 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 1/20 0.33
LMNA P02545 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
SCHEMBL1668806 0.92 GRM5 (0.37) GRM5MAPTALDH1A1NAAATSHR
SCHEMBL1669275 0.90 FAAH (0.39) GRM5NAAATSHRFSHRFAAH
SCHEMBL1170192 0.90 GRM5 (0.39) GRM5MAPTALDH1A1NAAAFAAH
SCHEMBL1672032 0.88 GRM5 (0.36) GRM5NAAATSHRFSHRFAAH
SCHEMBL4041061 0.88 F2 (0.37) GRM5ALDH1A1TSHRFSHRMMP2
SCHEMBL1169780 0.86 HPGD (0.40) GRM5MAPTALDH1A1EGFRMEN1
SCHEMBL1669283 0.86 GRM5 (0.35) GRM5MAPTALDH1A1NAAATSHR
SCHEMBL1169632 0.85 METAP2 (0.40) GRM5MAPTALDH1A1NPC1MEN1
SCHEMBL1669044 0.84 FAAH (0.36) GRM5MAPTALDH1A1FAAHMEN1
SCHEMBL1169718 0.84 GRM5 (0.38) GRM5ALDH1A1NAAATSHRFSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
EP-2488517-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2012-08-22 EP disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
WO-2011046873-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 WO 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-20110245241-A1 HIV Integrase Inhibitors DNTT, POLB, UNG GRM5 4666/4885MAPT 2585/4885ALDH1A1 539/4885

“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.