SCHEMBL5584007

SCHEMBL5584007

CCCCCCN1C(=O)NC2(CC(C)(C)NC(C)(C)C2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.50
TACR1 P25103 1/20 0.46
PTGS1 P23219 3/20 0.45
PTGS2 P35354 3/20 0.45
MGLL Q99685 3/20 0.45
FAAH O00519 2/20 0.45
ALDH1A1 P00352 1/20 0.40
CYP19A1 P11511 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 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
SCHEMBL5584090 1.00 CNR1 (0.50) CNR1TACR1PTGS1PTGS2MGLL
SCHEMBL39409 1.00 CNR1 (0.50) CNR1TACR1PTGS1PTGS2MGLL
SCHEMBL2893463 1.00 CNR1 (0.50) CNR1TACR1PTGS1PTGS2MGLL
SCHEMBL11353453 0.95 CNR1 (0.43) CNR1TACR1PTGS1PTGS2MGLL
SCHEMBL11153550 0.94 CNR1 (0.48) CNR1TACR1MGLLFAAHALDH1A1
SCHEMBL6017344 0.89 TACR1 (0.47) CNR1TACR1PTGS1PTGS2MGLL
SCHEMBL5605674 0.88 TACR1 (0.46) CNR1TACR1PTGS1PTGS2MGLL
SCHEMBL6030261 0.88 CNR1 (0.50) CNR1TACR1PTGS1PTGS2MGLL
SCHEMBL11765260 0.87 CNR1 (0.42) CNR1TACR1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL11091144 0.87 CNR1 (0.49) CNR1TACR1PTGS1PTGS2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055414-A1 N-HALAMINES COMPOUNDS AS MULTIFUNCTIONAL ADDITIVES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-02-21 US claimed
US-20150166796-A1 N-Halamines Compounds as Multifunctional Additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-06-18 US claimed
US-20070062884-A1 N-halamines compounds as multifunctional additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-03-22 US claimed
US-10689526-B2 N-halamines compounds as multifunctional additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-06-23 US disclosed
US-20190055414-A1 N-HALAMINES COMPOUNDS AS MULTIFUNCTIONAL ADDITIVES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-02-21 US disclosed
US-10138379-B2 N-halamines compounds as multifunctional additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-11-27 US disclosed
US-20150166796-A1 N-Halamines Compounds as Multifunctional Additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-06-18 US disclosed
US-20070062884-A1 N-halamines compounds as multifunctional additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-03-22 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 (3 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-20150166796-A1 N-Halamines Compounds as Multifunctional Additives NIT2, AAAS, NACA CNR1 4484/4885TACR1 3925/4885PTGS1 3492/4885
US-10138379-B2 N-halamines compounds as multifunctional additives NIT2, AAAS, NACA CNR1 4484/4885TACR1 3925/4885PTGS1 3492/4885
US-10689526-B2 N-halamines compounds as multifunctional additives NIT2, AAAS, NACA CNR1 4484/4885TACR1 3925/4885PTGS1 3492/4885

“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.