SCHEMBL161890

SCHEMBL161890

CC(C)NC(=O)c1coc([O])n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
CNR1 P21554 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
HPGD P15428 3/20 0.39
TP53 P04637 1/20 0.39
MLLT1 Q03111 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TBXA2R P21731 1/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37
MAPT P10636 1/20 0.36
CHRM2 P08172 1/20 0.36
GRM5 P41594 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
SCHEMBL15204281 0.83 RAB9A (0.47) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL13631425 0.82 NPC1 (0.43) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL23011857 0.81 SMYD3 (0.49) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL23193214 0.81 HDAC1 (0.44) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL4486489 0.81 NPC1 (0.46) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL2304405 0.81 NPC1 (0.42) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL158296 0.79 HDAC1 (0.39) NPC1RAB9ACNR1HPGDHDAC1
SCHEMBL22916883 0.79 NPC1 (0.41) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL161551 0.78 RAB9A (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL22618722 0.78 NPC1 (0.40) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1

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
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 NPC1 1201/4885RAB9A 3460/4885TSHR 4862/4885

“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.