SCHEMBL3515913

SCHEMBL3515913

COC(=O)c1ccc2c(c1)CN(c1cc(=O)n(OCc3ccccc3)c3ncccc13)CC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
PPIA P62937 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
PKM P14618 1/20 0.34
GPR183 P32249 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3516254 0.92 OGFRL1 (0.36) OPRK1OPRM1OPRD1OGFRL1SRD5A1
SCHEMBL3519173 0.88 SMN1; SMN2 (0.44) LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3517419 0.84 OPRM1 (0.42) OPRK1OPRM1OPRD1OGFRL1SRD5A1
SCHEMBL3514737 0.81 GRIN2D (0.36) OPRD1TMEM97SIGMAR1LMNA
SCHEMBL3517530 0.80 HDAC6 (0.39) OPRK1OPRM1OPRD1OGFRL1SRD5A1
SCHEMBL3514806 0.75 SMN1; SMN2 (0.47) LMNAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3516317 0.73 SMN1; SMN2 (0.41) HDAC6LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3514800 0.71 ROCK2 (0.42) HDAC11HDAC6LMNA
SCHEMBL3514803 0.71 ADAMTS4 (0.43)
SCHEMBL3515597 0.69 ALDH1A1 (0.42) LMNAHPGDNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL OPRK1 1386/4885OPRM1 1798/4885OPRD1 707/4885

“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.