SCHEMBL1937671

SCHEMBL1937671

O=C(CCc1ccccc1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.84
RAB9A P51151 2/20 0.84
KMT2A Q03164 5/20 0.74
MEN1 O00255 3/20 0.74
EPHX2 P34913 5/20 0.64
SMN1; SMN2 Q16637 1/20 0.63
EPHX1 P07099 1/20 0.63
MAPK1 P28482 1/20 0.62
ALDH1A1 P00352 4/20 0.61
FAAH O00519 2/20 0.56
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53

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
SCHEMBL12932018 0.91 NPC1 (0.94) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL15310176 0.91 NPC1 (1.00) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL19798449 0.84 KMT2A (0.72) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL12932147 0.83 EPHX2 (0.80) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL12932048 0.83 EPHX2 (0.80) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL12932083 0.83 EPHX2 (0.80) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL12932067 0.83 EPHX2 (0.80) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL12932047 0.83 EPHX2 (0.80) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL12932043 0.82 EPHX2 (0.79) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL9346993 0.80 NPC1 (0.56) NPC1RAB9AKMT2AMEN1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331495-B1 PROCESS FOR MANUFACTURING ADAMANTANE DERIVATIVES WITH HIGH YIELD MERZ PHARMA GMBH & CO KGAA (DE) 2016-01-27 EP disclosed
US-8796491-B2 Process for manufacturing adamantane derivatives with high yield MERZ PHARMA GMBH & CO. KGAA (DE) 2014-08-05 US disclosed
US-20110263900-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERVATIVES WITH HIGH YIELD MERZ PHARMA GMBH & CO. KGAA (DE) 2011-10-27 US disclosed
EP-2331495-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERIVATIVES WITH HIGH YIELD Merz Pharma GmbH & Co. KGaA (DE) 2011-06-15 EP disclosed
WO-2010015415-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERIVATIVES WITH HIGH YIELD MERZ PHARMA GMBH & CO. KGAA (DE) 2010-02-11 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-20110263900-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERVATIVES WITH HIGH YIELD BACE1, BACE2, APP NPC1 1162/4885RAB9A 122/4885KMT2A 3200/4885

“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.