SCHEMBL14938330

SCHEMBL14938330

NC(=O)N(CCc1ccccc1)N1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
CETP P11597 1/20 0.38
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HTR6 P50406 1/20 0.36
SLC6A4 P31645 3/20 0.36
NAPEPLD Q6IQ20 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX5 P09917 1/20 0.35
POLB P06746 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
PKM P14618 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL14938322 0.87 AOC3 (0.36) TDP1RAB9ASLC6A4ALDH1A1PKM
SCHEMBL27332317 0.80 NPC1 (0.46) SIGMAR1KMT2ANPC1TDP1MEN1
SCHEMBL6622116 0.78 KMT2A (0.48) SIGMAR1CETPKMT2ANPC1TDP1
SCHEMBL29144839 0.77 SIGMAR1 (0.44) SIGMAR1KMT2AHTR6SLC6A4SLC6A2
SCHEMBL6886355 0.73
SCHEMBL2106949 0.73 SIGMAR1 (0.42) SIGMAR1
SCHEMBL28352477 0.73
SCHEMBL14938331 0.70 ALOX5 (0.48) SIGMAR1KMT2AMEN1SLC6A4ALOX5
SCHEMBL17199879 0.69 L3MBTL1 (0.39) KMT2AMEN1SLC6A4SLC6A2SLC6A3
SCHEMBL1953503 0.67 TDP1 (0.61) KMT2ANPC1TDP1MEN1RAB9A

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-20130123215-A1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-05-16 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-20130123215-A1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR2, FPR3 SIGMAR1 211/4885CETP 2233/4885KMT2A 4728/4885

“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.