SCHEMBL3814063

SCHEMBL3814063

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1csc2ccc(N3CCOCC3)cc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.59
CNR1 P21554 2/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
CNR2 P34972 1/20 0.43
MTNR1B P49286 2/20 0.43
BRD4 O60885 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3813966 0.81 TRPV1 (0.66) MTNR1AKDM4EPOLBMTNR1BTRPV1
SCHEMBL3810147 0.81 TRPV1 (0.66) MTNR1AKDM4EPOLBMTNR1BTRPV1
SCHEMBL20647976 0.80 MTNR1A (0.47) MTNR1AMAPTALDH1A1KMT2AMTNR1B
SCHEMBL3813950 0.80 MTNR1A (0.71) MTNR1ACNR1MAPTMEN1KMT2A
SCHEMBL13649734 0.76 MTNR1A (0.64) MTNR1AMAPTMEN1KMT2AMTNR1B
SCHEMBL7022006 0.76 MTNR1A (0.77) MTNR1AMTNR1BTRPV1
SCHEMBL7016887 0.75 MTNR1A (0.76) MTNR1AKDM4EMTNR1BHSD17B10
SCHEMBL8884045 0.75 MTNR1A (1.00) MTNR1AMAPTMEN1KMT2AMTNR1B
SCHEMBL7017936 0.73 MTNR1A (1.00) MTNR1AKDM4EMTNR1BHPGDHSD17B10
SCHEMBL27449304 0.72 MTNR1A (0.67) MTNR1AKDM4EMTNR1BHSD17B10

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
US-10583119-B2 Compounds, compositions and methods for making the same SIGNUM BIOSCIENCES, INC. (US) 2020-03-10 US disclosed
EP-2282735-B1 PP2A MODULATORS FOR TREATING ALZHEIMER, PARKINSON, DIABETES SIGNUM BIOSCIENCES INC (US) 2019-01-16 EP disclosed
US-20170266161-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR MAKING THE SAME SIGNUM BIOSCIENCES, INC. (US) 2017-09-21 US disclosed
US-20170266161-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR MAKING THE SAME SIGNUM BIOSCIENCES, INC. (US) 2017-09-21 US disclosed
US-20170266161-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR MAKING THE SAME SIGNUM BIOSCIENCES, INC. (US) 2017-09-21 US disclosed
US-9486441-B2 Compounds, compositions and methods for making the same SIGNUM BIOSCIENCES, INC. (US) 2016-11-08 US disclosed
US-20090264496-A1 Compounds, Compositions and Methods for Making the Same SIGNUM BIOSCIENCES, INC. 2009-10-22 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-20090264496-A1 Compounds, Compositions and Methods for Making the Same PPP2CA, PPP4C, PPP6C MTNR1A 1889/4885CNR1 4118/4885MAPT 1887/4885
US-20170266161-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR MAKING THE SAME PPP2CA, PPP4C, PPP6C MTNR1A 1889/4885CNR1 4118/4885MAPT 1887/4885
US-10583119-B2 Compounds, compositions and methods for making the same PPP2CA, PPP4C, PPP6C MTNR1A 1889/4885CNR1 4118/4885MAPT 1887/4885

“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.