SCHEMBL6860467

SCHEMBL6860467

CC1CCN2CCCN=C12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.43
NOS1 P29475 4/20 0.43
NOS2 P35228 4/20 0.43
INMT O95050 3/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL6860421 0.91 NOS3 (0.48) NOS3NOS1NOS2INMTUSP2
SCHEMBL6859100 0.89 NOS3 (0.47) NOS3NOS1NOS2INMTUSP2
SCHEMBL20686772 0.88 NOS3 (0.45) NOS3NOS1NOS2INMTUSP2
SCHEMBL809703 0.77 INMT (0.36) INMTUSP2
SCHEMBL20686763 0.72 USP2 (0.33) NOS3NOS1NOS2INMTUSP2
SCHEMBL809360 0.72 INMT (0.37) NOS3NOS1NOS2INMTUSP2
SCHEMBL21985369 0.71 INMT (0.34) INMTUSP2
SCHEMBL20686776 0.71 INMT (0.36) NOS3NOS1NOS2INMTUSP2
SCHEMBL15437769 0.71 NOS1 (0.53) NOS3NOS1NOS2INMTUSP2
SCHEMBL810067 0.71 INMT (0.39) INMTUSP2

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-11384172-B2 Polymer, antimicrobial agent, disinfectant, antimicrobial material, disinfectant material, antimicrobial method, and disinfecting method JSR CORPORATION (JP) 2022-07-12 US disclosed
US-20190284436-A1 COMPOSITION AND METHOD FOR TREATING SEMICONDUCTOR SURFACE JSR CORPORATION (JP) 2019-09-19 US disclosed
US-6794530-B1 1,4-ADDITION OF MONOHYDRIC OR POLYHYDRIC ALCOHOLS TO ALPHA , BETA -UNSATURATED NITRILES BASF AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-6130347-A REACTING MONOCHLOROACETIC ESTER WITH HYDROGEN CYANIDE IN BASE PRESENCE; CYANATION BASF AKTIENGESELLSCHAFT (DE) 2000-10-10 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-11384172-B2 Polymer, antimicrobial agent, disinfectant, antimicrobial material, disinfectant material, antimicrobial method, and disinfecting method H1-5, DRD5, NRDC NOS3 444/4885NOS1 171/4885NOS2 431/4885

“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.