SCHEMBL2367887

SCHEMBL2367887

C=CN1CCCC(CC)C1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PER2 O15055 1/20 0.34
CRY2 Q49AN0 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
ACE P12821 4/20 0.32

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
SCHEMBL6926233 0.95 CHRNB2 (0.39) PER2CRY2NOS3NOS1NOS2
SCHEMBL35532 0.89 AR (0.32) PER2CRY2CHRNB2CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL30940345 0.87 AR (0.32) PER2CRY2NOS3NOS1NOS2
SCHEMBL29076626 0.82 NOS1 (0.41) NOS1NOS2CHRNB2CHRNA7CHRNA4
SCHEMBL7238109 0.81 CHRNB2 (0.34) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL20136144 0.81 CHRNB2 (0.37) CHRNB2CHRNA7CHRNA4
SCHEMBL11317370 0.81 ACHE (0.31) ACE
SCHEMBL18289478 0.80 ALDH1A1 (0.33) NOS1NOS2CHRNB2CHRNA7CHRNA4
SCHEMBL868861 0.79 ALDH1A1 (0.36) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL35531 0.76 PIK3CD (0.35) PER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108366954-A Tooth whitening composition comprising a peroxide complex and percarbonate 高露洁-棕榄公司 2018-08-03 CN disclosed
CN-107921296-A Tooth whitening oral care composition 高露洁-棕榄公司 2018-04-17 CN disclosed
US-8288496-B2 Contact lens and its manufacturing method NIPPON CONTACT LENS INC. (JP) 2012-10-16 US disclosed
US-20110237701-A1 CONTACT LENS AND ITS MANUFACTURING METHOD NIPPON CONTACT LENS INC. (JP) 2011-09-29 US disclosed
EP-2369370-A2 Contact lens and its manufacturing method Nippon Contact Lens Inc. (JP) 2011-09-28 EP disclosed
US-6583281-B2 Using phenothiazine BASF AKTIENGESELLSCHAFT (DE) 2003-06-24 US disclosed
US-20020002280-A1 Stabilized N-alkenyllactam BASF AKTIENGESELLSCHAFT (DE) 2002-01-03 US 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-20020002280-A1 Stabilized N-alkenyllactam ALK, NPM1, MYC PER2 3541/4885CRY2 2180/4885NOS3 3431/4885

“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.