SCHEMBL12877016

SCHEMBL12877016

CCCN(CC)C(=O)c1cccc(OCCC2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
NPC1 O15118 2/20 0.44
SLC2A1 P11166 1/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL1168181 0.80 KMT2A (0.56) RAB9AKMT2AALDH1A1
SCHEMBL25120310 0.79 RAB9A (0.48) RAB9ANPC1KMT2AALDH1A1
SCHEMBL13107095 0.76 ALDH1A1 (0.48) RAB9ANPC1TSHRALDH1A1LMNA
SCHEMBL13096994 0.72 CHRNB4 (0.48) RAB9ANPC1CNR1CNR2
SCHEMBL1168210 0.71 ALDH1A1 (0.42) RAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL13106486 0.71 ALDH1A1 (0.48) RAB9ANPC1TSHRALDH1A1LMNA
SCHEMBL4681513 0.70 ALDH1A1 (0.49) RAB9ANPC1KMT2AALDH1A1
SCHEMBL21556183 0.69 HSD17B10 (0.58) RAB9ANPC1KMT2ATSHRALDH1A1
SCHEMBL12877576 0.68 SLC2A1 (0.45) RAB9ANPC1SLC2A1TSHRL3MBTL1
SCHEMBL8985604 0.68 MAOB (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039853-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC 2011-02-17 US 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-20110039853-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD3B1, HSD17B1 RAB9A 2384/4885NPC1 317/4885SLC2A1 2393/4885

“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.