SCHEMBL17949536

SCHEMBL17949536

CCCC(=O)NCCc1c[nH]c2ccc(OCC)cc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.69
MTNR1B P49286 8/20 0.69
TRPV1 Q8NER1 2/20 0.61
HTR1A P08908 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP1A1 P04798 1/20 0.61
MPO P05164 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
HPGD P15428 1/20 0.61
NQO2 P16083 1/20 0.61
HTR2B P41595 1/20 0.61
RAB9A P51151 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP1B1 Q16678 1/20 0.61

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
SCHEMBL14961000 0.93 MTNR1A (0.66) MTNR1AMTNR1BHTR1AKDM4EMEN1
SCHEMBL17949517 0.92 MTNR1A (0.65) MTNR1AMTNR1BHTR1AKDM4EMEN1
SCHEMBL5616635 0.89 MTNR1A (0.85) MTNR1AMTNR1BHTR1AKDM4EMEN1
SCHEMBL8569058 0.88 MTNR1A (0.79) MTNR1AMTNR1BHTR1AKDM4EMEN1
SCHEMBL4686540 0.88 MTNR1A (0.62) MTNR1AMTNR1BTRPV1HTR1AKDM4E
SCHEMBL14907346 0.87 MTNR1A (0.67) MTNR1AMTNR1BTRPV1HTR1AKDM4E
SCHEMBL7731853 0.87 TRPM8 (0.77) MTNR1AMTNR1BKDM4ETRPM8HTR1D
SCHEMBL14907361 0.86 MTNR1A (0.75) MTNR1AMTNR1BTRPV1HTR1AKDM4E
SCHEMBL8206907 0.85 TRPM8 (0.73) MTNR1AMTNR1BTRPM8HTR1D
SCHEMBL8712198 0.84 MPO (0.65) MTNR1AMTNR1BTRPV1HTR1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2016-07-28 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-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2, BCL2L1 MTNR1A 748/4885MTNR1B 1115/4885TRPV1 4136/4885

“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.