SCHEMBL14859632

SCHEMBL14859632

NNC(=O)CN1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.64
FAAH O00519 1/20 0.63
LMNA P02545 2/20 0.61
ALDH1A1 P00352 5/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
KMT2A Q03164 3/20 0.61
TP53 P04637 2/20 0.61
MEN1 O00255 2/20 0.61
KDM4E B2RXH2 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPT P10636 2/20 0.58
HTT P42858 1/20 0.58
S1PR5 Q9H228 1/20 0.57

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
SCHEMBL4084709 0.87 KMT2A (0.73) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL20381852 0.86 KMT2A (0.59) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL14860754 0.85 KMT2A (0.58) LMNAALDH1A1NPC1RAB9AKMT2A
SCHEMBL20184188 0.83 KMT2A (0.68) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL1143656 0.83 NPC1 (0.85) HRH3FAAHLMNAALDH1A1NPC1
SCHEMBL14872736 0.81 MEN1 (0.68) FAAHALDH1A1NPC1RAB9AKMT2A
SCHEMBL3031876 0.81 HRH3 (0.68) HRH3FAAHALDH1A1NPC1RAB9A
SCHEMBL3042737 0.81 NR4A2 (0.72) HRH3FAAHALDH1A1NPC1RAB9A
SCHEMBL12244095 0.81 ACHE (0.58) FAAHALDH1A1KDM4ESMN1; SMN2
SCHEMBL13149744 0.81 NPC1 (0.64) HRH3FAAHLMNAALDH1A1NPC1

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-20180360824-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-12-20 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-08-20 US disclosed
US-8916705-B2 Procaspase-activating compounds and compositions The Board of Trustees of The University of Illilnois (US) 2014-12-23 US disclosed
US-20130096133-A1 PROCASPASE-ACTIVATING COMPOUNDS AND COMPOSITIONS The Board of Trustees of the University lllinois (US) 2013-04-18 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 (4 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-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS CASP3, CASP5, CASP6 HRH3 4444/4885FAAH 2477/4885LMNA 294/4885
US-20180360824-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS CASP3, CASP5, CASP6 HRH3 4444/4885FAAH 2477/4885LMNA 294/4885
US-20130096133-A1 PROCASPASE-ACTIVATING COMPOUNDS AND COMPOSITIONS CASP3, CASP5, CASP6 HRH3 4588/4885FAAH 2398/4885LMNA 286/4885
US-10022371-B2 Procaspase-activating compounds and methods CASP3, CASP5, CASP6 HRH3 4444/4885FAAH 2477/4885LMNA 294/4885

“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.