SCHEMBL6947422

SCHEMBL6947422

CC(c1ccccc1)N1CC(CF)CC1=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
MAPK1 P28482 1/20 0.48
GRM5 P41594 1/20 0.41
P2RX3 P56373 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL6947425 1.00 KMT2A (0.59) KMT2AMAPK1GRM5P2RX3CYP2D6
SCHEMBL7096687 1.00 KMT2A (0.59) KMT2AMAPK1GRM5P2RX3CYP2D6
SCHEMBL3982051 1.00 KMT2A (0.59) KMT2AMAPK1GRM5P2RX3CYP2D6
SCHEMBL4254997 1.00 KMT2A (0.59) KMT2AMAPK1GRM5P2RX3CYP2D6
SCHEMBL13752131 0.87 KMT2A (0.61) KMT2AMAPK1GRM5P2RX3CYP2D6
SCHEMBL13495538 0.87 KMT2A (0.61) KMT2AMAPK1GRM5P2RX3CYP2D6
SCHEMBL15850937 0.87 KMT2A (0.61) KMT2AMAPK1GRM5P2RX3CYP2D6
SCHEMBL3120815 0.86 KMT2A (0.54) KMT2AMAPK1GRM5P2RX3CYP2D6
SCHEMBL3120829 0.86 KMT2A (0.54) KMT2AMAPK1GRM5P2RX3CYP2D6
SCHEMBL3120822 0.86 KMT2A (0.54) KMT2AMAPK1GRM5P2RX3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656952-B2 As antibiotics DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-02 US disclosed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US disclosed
EP-0995744-B1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-02-12 EP disclosed
US-20020072608-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-13 US disclosed
EP-0995744-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP 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-20020072608-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVE Q6ZSR9, MRPL21, ABCC1 KMT2A 1525/4885MAPK1 3073/4885GRM5 3310/4885
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 KMT2A 3440/4885MAPK1 544/4885GRM5 2861/4885

“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.