SCHEMBL3515920

SCHEMBL3515920

O=C(O)N(Cc1cc2c(cn1)OCCO2)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.53
CHRM3 P20309 1/20 0.53
OPRM1 P35372 2/20 0.52
UBE2M P61081 5/20 0.50
DCUN1D1 Q96GG9 5/20 0.50
LMNA P02545 4/20 0.50
ACHE P22303 3/20 0.48
BCHE P06276 2/20 0.48
THRB P10828 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
FAAH O00519 1/20 0.44
TP53 P04637 2/20 0.44

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
SCHEMBL13167708 0.87 LMNA (0.46) CHRM2CHRM3OPRM1UBE2MDCUN1D1
SCHEMBL4131135 0.86 OPRM1 (0.39) CHRM2CHRM3OPRM1UBE2MDCUN1D1
SCHEMBL909709 0.81 UBE2M (0.40) UBE2MDCUN1D1LMNA
SCHEMBL3329038 0.80 LNPEP (0.37) UBE2MDCUN1D1LMNA
SCHEMBL2767755 0.80 KDM4E (0.37) DCUN1D1ALDH1A1
SCHEMBL5040313 0.79 DCUN1D1 (0.38) UBE2MDCUN1D1PKM
Water SCHEMBL3517045 0.79 KDM4E (0.37) DCUN1D1ALDH1A1
SCHEMBL13167704 0.78 KCNH2 (0.60) ACHEBCHE
Hydrochloric Acid SCHEMBL3517676 0.77 KCNH2 (0.59) ACHEBCHE
SCHEMBL4135802 0.77 KCNH2 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2221309-B1 NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2013-07-24 EP disclosed
US-8354426-B2 Naphthyridine derivative monohydrate and method for producing the same TOYAMA CHEMICAL CO., LTD. (JP) 2013-01-15 US disclosed
US-20100249417-A1 NOVEL NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2010-09-30 US disclosed
EP-2221309-A1 NOVEL NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME Toyama Chemical Co., Ltd. (JP) 2010-08-25 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-20100249417-A1 NOVEL NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME QDPR, NDC1, NRDC CHRM2 3018/4885CHRM3 2592/4885OPRM1 1524/4885

“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.