SCHEMBL5410967

SCHEMBL5410967

CC(=O)CC(=O)OCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
HTR2A P28223 3/20 0.45
HRH1 P35367 3/20 0.45
TDP1 Q9NUW8 1/20 0.43
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
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
EPHX2 P34913 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
HPGD P15428 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
SCHEMBL7532586 0.95 MTNR1A (0.47) MTNR1AMTNR1BHTR2AHRH1TDP1
SCHEMBL7527919 0.94 MTNR1A (0.46) MTNR1AMTNR1BHTR2AHRH1TDP1
SCHEMBL4505300 0.90 MTNR1A (0.51) MTNR1AMTNR1BHTR2AHRH1KMT2A
SCHEMBL28650170 0.82 ALDH1A1 (0.50) TDP1KMT2ASMN1; SMN2LMNACNR1
SCHEMBL8991603 0.81 TDP1 (0.47) MTNR1AMTNR1BTDP1KMT2ACHRM2
SCHEMBL5413373 0.80 CA12 (0.47) MTNR1AMTNR1BKMT2ACHRM2CHRM4
SCHEMBL2342436 0.80 HRH1 (0.48) MTNR1AMTNR1BHTR2AHRH1TDP1
SCHEMBL2342435 0.80 MTNR1A (0.49) MTNR1AMTNR1BHTR2AHRH1TDP1
SCHEMBL28654114 0.80 PKM (0.44) MTNR1AMTNR1BHTR2AHRH1TDP1
SCHEMBL10804736 0.79 L3MBTL1 (0.58) MTNR1AMTNR1BTDP1NPC1RAB9A

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 1148/4885HTR2A 735/4885

“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.