SCHEMBL1930008

SCHEMBL1930008

COc1cc(N)ccc1OCC(=O)N1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
KDM4E B2RXH2 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.67
POLB P06746 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HTT P42858 2/20 0.55
HPGD P15428 4/20 0.54
TSHR P16473 3/20 0.54
NPC1 O15118 2/20 0.54
GAA P10253 2/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RECQL P46063 1/20 0.52

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
SCHEMBL13946459 0.93 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2KDM4EL3MBTL1POLB
SCHEMBL1294980 0.88 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2KDM4EPOLBMEN1
SCHEMBL5753229 0.84 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KDM4EL3MBTL1POLB
SCHEMBL16513500 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2KDM4EL3MBTL1POLB
Hydrochloric Acid SCHEMBL16513642 0.82 KMT2A (0.68) ALDH1A1SMN1; SMN2KDM4EL3MBTL1POLB
SCHEMBL791659 0.80 KMT2A (0.71) ALDH1A1SMN1; SMN2KDM4EL3MBTL1POLB
SCHEMBL1928480 0.80 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4EL3MBTL1POLB
SCHEMBL15652814 0.78 MAPT (0.60) ALDH1A1SMN1; SMN2KDM4EL3MBTL1POLB
SCHEMBL1531321 0.78 POLB (0.62) ALDH1A1SMN1; SMN2KDM4EL3MBTL1POLB
SCHEMBL6318004 0.77 MAPT (0.49) ALDH1A1SMN1; SMN2KDM4ETDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956049-B2 Melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-07 US disclosed
US-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-09-03 US disclosed
US-7553836-B2 7-(4-Chlorophenyl)-2-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one trifluoroacetic acid salt; obesity; antidiabetic agents; antidepressants; anxiolytic agents; combination with antipsychotic drugs enhanced therayp for schizophrenic disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-30 US disclosed
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 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 (2 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-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 446/4885SMN1; SMN2 1853/4885KDM4E 2794/4885
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 446/4885SMN1; SMN2 1853/4885KDM4E 2794/4885

“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.