SCHEMBL5407625

SCHEMBL5407625

O=C(COCCCl)CC(=O)OCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CASR P41180 7/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 4/20 0.36
CNR2 P34972 2/20 0.36
EPHX2 P34913 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL5401685 0.86 PLA2G4B (0.40) MTNR1AMTNR1BCASRALDH1A1MAPT
SCHEMBL5421203 0.85 MTNR1A (0.36) MTNR1AMTNR1BCASRALDH1A1MAPT
SCHEMBL5412378 0.84 MTNR1A (0.45) MTNR1AMTNR1BCASRCNR1CNR2
SCHEMBL7533696 0.84 SMN1; SMN2 (0.47) ALDH1A1MAPTCNR1SMN1; SMN2LMNA
SCHEMBL5413344 0.82 PLA2G4B (0.47) ALDH1A1SMN1; SMN2LMNA
SCHEMBL5403079 0.82 SMN1; SMN2 (0.45) ALDH1A1MAPTCNR1EPHX2SMN1; SMN2
SCHEMBL7528911 0.82 TSHR (0.48) MTNR1AMTNR1BCASRALDH1A1MAPT
SCHEMBL4488881 0.80 KLK7 (0.43) CASRCHRM2CHRM4CHRM1CHRM3
SCHEMBL5407213 0.80 HRH3 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL5406752 0.80 CYP19A1 (0.42) ALDH1A1MAPTEPHX2SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247645-B2 Dihydropyridine derivatives AJINOMOTO CO., INC. (JP) 2007-07-24 US disclosed
US-20020147222-A1 Dihydropyridine derivatives AJINOMOTO CO. INC (JP) 2002-10-10 US disclosed
EP-1191021-A1 DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-03-27 EP 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-20020147222-A1 Dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C MTNR1A 1425/4885MTNR1B 1148/4885CASR 182/4885

“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.