SCHEMBL7527233

SCHEMBL7527233

CCC(=O)CC(=O)OCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
CASR P41180 5/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
MMP8 P22894 1/20 0.41
EPHX2 P34913 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SLC22A1 O15245 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 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
SCHEMBL7528911 0.85 TSHR (0.48) MTNR1AMTNR1BCASRCHRNB2CHRNB4
SCHEMBL5400211 0.84 FAAH (0.44) MTNR1AMTNR1BCASRCHRNB2CHRNB4
SCHEMBL5412378 0.84 MTNR1A (0.45) MTNR1AMTNR1BCASREPHX2CNR1
SCHEMBL4505300 0.84 MTNR1A (0.51) MTNR1AMTNR1BCASRCHRNB2CHRNB4
SCHEMBL5413344 0.80 PLA2G4B (0.47) LMNA
SCHEMBL28014921 0.79 KMT2A (0.50) MTNR1AMTNR1BCHRNB2CHRNB4CHRNA3
SCHEMBL5401685 0.79 PLA2G4B (0.40) MTNR1AMTNR1BCASRCHRNB2CHRNB4
SCHEMBL5407625 0.79 MTNR1A (0.37) MTNR1AMTNR1BCASRCHRNB2CHRNB4
SCHEMBL27375595 0.78 TDP1 (0.56) LMNATDP1
SCHEMBL5421203 0.77 MTNR1A (0.36) MTNR1AMTNR1BCASRCHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.