SCHEMBL4955920

SCHEMBL4955920

O=C(O)CNCCCN(Cc1ccccc1)C[C@H]1COc2cccnc2O1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LTA4H P09960 8/20 0.43
ALOX5 P09917 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.37
MOGAT2 Q3SYC2 2/20 0.37
HTT P42858 2/20 0.37
MGAT2 Q10469 1/20 0.37

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
SCHEMBL4955935 1.00 HPGD (0.43) HPGDALDH1A1LTA4HALOX5SMN1; SMN2
SCHEMBL4958489 0.83 LTA4H (0.48) LTA4H
SCHEMBL4957361 0.78 LTA4H (0.47) LTA4H
SCHEMBL4957374 0.78 LTA4H (0.47) LTA4H
SCHEMBL7004251 0.77 LTA4H (0.41) LTA4H
SCHEMBL4956336 0.76 LTA4H (0.41) LTA4H
SCHEMBL4956310 0.76 LTA4H (0.41) LTA4H
SCHEMBL7284699 0.72 ALOX5 (0.50) HPGDALDH1A1LTA4HALOX5SMN1; SMN2
SCHEMBL7374182 0.70 NR1D1 (0.48) ALDH1A1LTA4HALOX5SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL7276981 0.69 NR1D1 (0.48) ALDH1A1LTA4HALOX5SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423048-B2 Compounds for treating fundic disaccomodation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-09 US disclosed
US-7081453-B2 Compounds for treating impaired fundic relaxation JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-25 US disclosed
US-20060142318-A1 Compounds for treating fundic disaccomodation VAN EMELEN KRISTOF 2006-06-29 US disclosed
EP-1296987-B1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA NV (BE) 2005-12-07 EP disclosed
US-20040019051-A1 Compounds for treating impaired fundic relaxation JANSSEN-CILAG S.A. (ES) 2004-01-29 US disclosed
EP-1296987-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-02 EP disclosed
WO-2001098306-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2001-12-27 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 (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-20040019051-A1 Compounds for treating impaired fundic relaxation CNR2, CNR1, CBR1 HPGD 548/4885ALDH1A1 439/4885LTA4H 1504/4885
US-20060142318-A1 Compounds for treating fundic disaccomodation ALK, ADORA1, CHRM2 HPGD 1970/4885ALDH1A1 130/4885LTA4H 1162/4885

“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.