SCHEMBL1320015

SCHEMBL1320015

C[C@@H]1CC[C@H](C(=O)Nc2ccccc2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ENPP2 Q13822 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ RCOR1 Q9UKL0 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL15422289 0.86 ALDH1A1 (0.53) NPSR1NPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL15422089 0.86 ALDH1A1 (0.53) NPSR1NPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL19278897 0.86 ALDH1A1 (0.53) NPSR1NPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL15431220 0.86 ALDH1A1 (0.53) NPSR1NPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL10242881 0.86 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2HTR2CALDH1A1
SCHEMBL1320776 0.86 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2HTR2CALDH1A1
SCHEMBL1317704 0.86 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2HTR2CALDH1A1
SCHEMBL2444107 0.86 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2HTR2CALDH1A1
SCHEMBL14630640 0.86 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2HTR2CALDH1A1
SCHEMBL10189895 0.86 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2HTR2CALDH1A1

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
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 KDM4E 167/4885LMNA 4686/4885ENPP2 1683/4885

“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.

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