SCHEMBL23913989

SCHEMBL23913989

CC1([C@@H]2C(CN3CCCCC3)C(=O)O[C@@H]2c2ccccc2)C=c2ccccc2=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MITF O75030 1/20 0.35
POLB P06746 1/20 0.35
ABCB1 P08183 4/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
CHRNA7 P36544 2/20 0.33
DRD2 P14416 1/20 0.32
MAPT P10636 1/20 0.32
CHRM2 P08172 1/20 0.31

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
SCHEMBL23914321 0.80 MEN1 (0.38) MEN1KMT2AALDH1A1L3MBTL1MITF
SCHEMBL23914326 0.72 MEN1 (0.45) MEN1KMT2AALDH1A1L3MBTL1ABCB1
SCHEMBL23914109 0.69 MEN1 (0.42) MEN1KMT2AALDH1A1L3MBTL1MITF
SCHEMBL23913990 0.65 HRH3 (0.41) MEN1KMT2AALDH1A1L3MBTL1CHRNA7
SCHEMBL23914325 0.63 MEN1 (0.41) MEN1KMT2AALDH1A1L3MBTL1MITF
SCHEMBL23913811 0.62 ALDH1A1 (0.40) MEN1KMT2AALDH1A1L3MBTL1ABCB1
SCHEMBL23914280 0.62 DRD2 (0.36) MEN1KMT2AALDH1A1L3MBTL1MITF
SCHEMBL23913784 0.60 CHRNA7 (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL23914453 0.60 HRH3 (0.42) MEN1KMT2AALDH1A1L3MBTL1ADRA2A
SCHEMBL5036852 0.59 KMT2A (0.43) MEN1KMT2AALDH1A1L3MBTL1MITF

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-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2021-10-14 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-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS MIF, LTA, MGAM MEN1 1587/4885KMT2A 2354/4885ALDH1A1 2164/4885

“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.