SCHEMBL7906944

SCHEMBL7906944

c1ccc(OCc2nccn2C2CCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCP P55072 11/20 0.41
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13721080 0.88 ALDH1A1 (0.40) VCPTSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL3981433 0.86 LMNA (0.44) VCPTSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL2544522 0.81 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL1333153 0.76 ALDH1A1 (0.40) TSHRALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL7904174 0.76 ALDH1A1 (0.40) TSHRALDH1A1GAAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL3980796 0.75 ALDH1A1 (0.39) TSHRALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL19949182 0.72 CYP2C19 (0.39) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13469345 0.72 CYP2C19 (0.42) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1485370 0.68 CYP2C19 (0.38) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12864677 0.67 MEN1 (0.65) TSHRSMN1; SMN2NPC1RAB9AMEN1

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-2379558-B1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2016-03-23 EP disclosed
US-8546406-B2 Heterocyclic compounds as metap-2 inhibitors MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
US-8546406-B2 Heterocyclic compounds as metap-2 inhibitors MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US disclosed
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US disclosed
WO-2010083870-A1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2010-07-29 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-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS METAP2, METAP1, XPNPEP2 VCP 3059/4885TSHR 1740/4885ALDH1A1 1917/4885

“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.