SCHEMBL5254191

SCHEMBL5254191

COc1cc([N+](=O)[O-])ccc1OCC(C)(C)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 7/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 6/20 0.43
KCNJ1 P48048 1/20 0.42
CYP19A1 P11511 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPK1 P28482 2/20 0.41
DRD4 P21917 1/20 0.41
TTR P02766 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
SCHEMBL15382204 0.79 ACHE (0.47) ALDH1A1HTTTDP1SMN1; SMN2MAPT
SCHEMBL1531279 0.79 HTT (0.53) ALDH1A1HTTTDP1SMN1; SMN2MAPT
SCHEMBL5257775 0.78 GAA (0.51) ALDH1A1HTTSMN1; SMN2MAPTHPGD
SCHEMBL1023732 0.78 HTT (0.51) ALDH1A1HTTTDP1SMN1; SMN2MAPT
SCHEMBL264564 0.78 LTA4H (0.57) ALDH1A1TDP1SMN1; SMN2MAPTHPGD
SCHEMBL7774011 0.77 TSHR (0.57) ALDH1A1HTTTDP1SMN1; SMN2MAPT
SCHEMBL1928086 0.77 HRH3 (0.56) ALDH1A1SMN1; SMN2MAPTHPGDNPC1
SCHEMBL2172599 0.76 TTR (0.51) ALDH1A1HTTTDP1SMN1; SMN2MAPT
SCHEMBL12257811 0.76 SMN1; SMN2 (0.43) ALDH1A1HTTSMN1; SMN2HPGDNPC1
SCHEMBL6646494 0.76 HTT (0.58) ALDH1A1HTTTDP1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 US disclosed
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 US disclosed
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 US disclosed
EP-1442025-B1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2007-03-07 EP disclosed
EP-1442025-B1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2007-03-07 EP disclosed
US-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-04 US disclosed
EP-1442025-A1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2004-08-04 EP disclosed
WO-2003033476-A1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2003-04-24 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-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 MC1R, MCHR1, MCHR2 ALDH1A1 207/4885HTT 813/4885TDP1 1424/4885

“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.