SCHEMBL4229110

SCHEMBL4229110

CN(C)CCNCC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
OPRK1 P41145 1/20 0.59
KDM4E B2RXH2 2/20 0.50
CACNA1H O95180 3/20 0.48
EPHX1 P07099 3/20 0.48
EPHX2 P34913 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
JAK2 O60674 1/20 0.45
LMNA P02545 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL1677807 0.83 ATM (0.70) ATMKDM4EEPHX1EPHX2ALDH1A1
SCHEMBL21164697 0.75 ATM (0.56) ATMOPRK1KDM4EEPHX1EPHX2
Tromantadine SCHEMBL148486 0.75 OPRK1 (1.00) ATMOPRK1EPHX2ALDH1A1KMT2A
Tromantadine SCHEMBL1376070 0.74 OPRK1 (0.97) ATMOPRK1KDM4EEPHX2ALDH1A1
Tromantadine SCHEMBL1651361 0.72 OPRK1 (0.94) ATMOPRK1KDM4EEPHX2ALDH1A1
SCHEMBL24209092 0.72 ATM (0.55) ATMKDM4EEPHX1EPHX2ALDH1A1
SCHEMBL21164489 0.71 ATM (0.55) ATMKDM4EEPHX1EPHX2ALDH1A1
SCHEMBL23960193 0.71 OPRK1 (0.66) ATMOPRK1EPHX1EPHX2ALDH1A1
SCHEMBL8403724 0.71 EPHX2 (0.66) ATMKDM4EEPHX1EPHX2ALDH1A1
SCHEMBL1718112 0.71 ALDH1A1 (0.73) ATMEPHX1EPHX2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 US disclosed
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 US disclosed
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 US disclosed
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 US disclosed
EP-1812407-A2 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBSTITUTED ADAMANTYL AMIDES Pfizer, Inc. (US) 2007-08-01 EP disclosed
WO-2006048750-A2 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBSTITUTED ADAMANTYL AMIDES PFIZER INC. (US) 2006-05-11 WO 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 (2 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-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES HSD11B1, HSD11B2, HSD17B11 ATM 3870/4885OPRK1 843/4885KDM4E 2439/4885
US-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 ATM 3431/4885OPRK1 1223/4885KDM4E 4343/4885

“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.