SCHEMBL87301

SCHEMBL87301

CCCCOC(=O)NCC1CCc2nc(C(=O)OCC)c(OCCCC)c(=O)n2CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 4/20 0.40
RAB9A P51151 3/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.33
AVPR1B P47901 3/20 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
SCHEMBL87305 0.89 MAPT (0.41) MAPTALDH1A1TSHRRAB9AALOX15
SCHEMBL87323 0.76 F2 (0.43) MAPTALDH1A1TSHRRAB9AALOX15
SCHEMBL13691707 0.76 KCNH2 (0.46) MAPTTSHRSMN1; SMN2NPSR1CNR2
SCHEMBL13691655 0.70 F2 (0.37) MAPTALDH1A1TSHRRAB9AHSD17B10
SCHEMBL87444 0.69 MAPT (0.48) MAPTALDH1A1TSHRRAB9AALOX15
SCHEMBL16145641 0.68 ACHE (0.53)
SCHEMBL13367229 0.67 KDM5B (0.41) RAB9AHSD17B10KDM4EGAANPC1
SCHEMBL12225744 0.66 ADORA2A (0.39) ALDH1A1NPSR1KMT2AMEN1
SCHEMBL30849236 0.65 ACHE (0.46)
SCHEMBL5390394 0.64 MAPT (0.50) MAPTALDH1A1RAB9AHSD17B10SMN1; 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-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
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG MAPT 2585/4885ALDH1A1 539/4885TSHR 4845/4885

“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.