SCHEMBL62985

SCHEMBL62985

CCOC(=O)c1nc2n(c(=O)c1OC(=O)c1ccccc1)CC1CCC2(NC)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 7/20 0.36
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
OPRM1 P35372 5/20 0.35
OPRK1 P41145 5/20 0.35
OPRD1 P41143 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 2/20 0.35
MTOR P42345 2/20 0.34
ELANE P08246 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCR8 P51685 1/20 0.34
TP53 P04637 1/20 0.34
ALOX12 P18054 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 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
Hydrochloric Acid SCHEMBL51522 0.99 OGFRL1 (0.36) OGFRL1ALDH1A1KMT2ALMNAOPRM1
SCHEMBL52078 0.92 OGFRL1 (0.36) OGFRL1ALDH1A1KMT2ALMNAOPRM1
SCHEMBL13657326 0.91 OGFRL1 (0.34) OGFRL1ALDH1A1KMT2ALMNAOPRM1
SCHEMBL51508 0.88 OGFRL1 (0.33) OGFRL1ALDH1A1KMT2ALMNAOPRM1
SCHEMBL51812 0.88 HPGD (0.35) OGFRL1KMT2ALMNAOPRM1OPRK1
SCHEMBL61874 0.88 ALDH1A1 (0.37) OGFRL1ALDH1A1KMT2ALMNAOPRM1
Hydrochloric Acid SCHEMBL51511 0.87 ALDH1A1 (0.37) OGFRL1ALDH1A1KMT2ALMNAOPRM1
SCHEMBL61903 0.85 ROCK2 (0.36) OGFRL1KMT2ALMNAELANEKDM4E
SCHEMBL63729 0.84 HRH1 (0.31)
SCHEMBL51826 0.84 OGFRL1 (0.35) OGFRL1ALDH1A1KMT2ALMNAOPRM1

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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG OGFRL1 3981/4885ALDH1A1 539/4885KMT2A 1339/4885

“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.