SCHEMBL5511544

SCHEMBL5511544

CCN([C]=O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
KCNA5 P22460 3/20 0.43
KCNN4 O15554 1/20 0.43
CYP2A6 P11509 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2B6 P20813 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CYP2E1 P05181 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL6696457 0.77 CHRM5 (0.43) MAPT
SCHEMBL8191339 0.77 KCNA5 (0.36) KCNA5
SCHEMBL305841 0.77 TSHR (0.47) HTTCYP3A4CYP2C9CYP2C19MAPT
SCHEMBL8190030 0.76 LOXL2 (0.31)
SCHEMBL348708 0.76 KCNA5 (0.43) HTTCHRNB2CHRNA4KCNA5KCNN4
SCHEMBL26846250 0.75 CHRNB2 (0.50) HTTCHRNB2CHRNA4KCNA5KCNN4
SCHEMBL1432726 0.75 NPSR1 (0.51) HTTCHRNB2CHRNA4KCNA5KCNN4
SCHEMBL3230643 0.73 CHRNB2 (0.53) HTTCHRNB2CHRNA4KCNA5KCNN4
SCHEMBL6671752 0.71 HTT (0.65) HTTCHRNB2CHRNA4KCNA5KCNN4
SCHEMBL26846221 0.70 HTT (0.51) HTTCHRNB2CHRNA4KCNA5KCNN4

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
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 US disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 HTT 71/4885CHRNB2 534/4885CHRNA4 462/4885

“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.