SCHEMBL6865564

SCHEMBL6865564

C=CN1CCCCC1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
KMT2A Q03164 2/20 0.38
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 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
SCHEMBL9797379 0.94
SCHEMBL30481613 0.84 PSEN1 (0.37) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL28146846 0.81 CYP1A2 (0.39) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL7693222 0.81 KMT2A (0.39) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL15658693 0.81 KMT2A (0.39) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL10687062 0.80 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL31022708 0.79 KMT2A (0.41) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL4158148 0.79 KMT2A (0.41) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL10648906 0.79 KMT2A (0.41) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL13329800 0.79 KMT2A (0.41) KMT2APSEN1PSEN2APH1BNCSTN

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-117618260-A Oral care compositions and methods therefor 高露洁-棕榄公司 2024-03-01 CN disclosed
CN-116014240-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2023-04-25 CN disclosed
US-10758472-B2 Oral care composition with cross-linked polymer peroxide COLGATE-PALMOLIVE COMPANY (US) 2020-09-01 US disclosed
US-20180333346-A1 Oral Care Composition with Cross-Linked Polymer Peroxide COLGATE-PALMOLIVE COMPANY (US) 2018-11-22 US disclosed
US-6800276-B2 FOR USE IN COSMETICS, PHARMACEUTICALS, TEXTILE, PRINTING, PAPER, LEATHER, ADHESIVES AND AGROCHEMICAL INDUSTRY BASF AKTIENGESELLSCHAFT (DE) 2004-10-05 US disclosed
US-20020155079-A1 Polyureas and water-soluble or water-dispersible polymeric salts KIM SON NGUYEN (DE) 2002-10-24 US disclosed
US-6410004-B1 POLYURETHANES, POLYETHERS, POLYUREAS BASF AKTIENGESELLSCHAFT (DE) 2002-06-25 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-20020155079-A1 Polyureas and water-soluble or water-dispersible polymeric salts PUF60, PARG, PARN CHRNB2 4812/4885CHRNA7 4390/4885CHRNA4 4797/4885

“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.