SCHEMBL14477085

SCHEMBL14477085

CC1(N2C(=O)c3ccccc3C2=O)C(=O)CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ PGR P06401 2/20 0.39
▸ CES1 P23141 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ PLIN1 O60240 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PLIN5 Q00G26 1/20 0.38
▸ ABHD5 Q8WTS1 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ SRD5A1 P18405 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
SCHEMBL2061748 0.72 CHRM2 (0.49) CHRM2ADRA2AHTR2AHTR2CHTR2B
SCHEMBL29858318 0.72 CHRM2 (0.49) CHRM2ADRA2AHTR2AHTR2CHTR2B
SCHEMBL31676061 0.70 KMT2A (0.36) CHRM2ADRA2AHTR2AHTR2CHTR2B
SCHEMBL17865988 0.70 PARP1 (0.40) HTR2AHTR2CHTR2BALDH1A1TDP1
SCHEMBL4231166 0.69 CHRM2 (0.47) CHRM2ADRA2AHTR2AHTR2CHTR2B
SCHEMBL14358172 0.69 CHRM2 (0.47) CHRM2ADRA2AHTR2AHTR2CHTR2B
SCHEMBL29734668 0.67 CHRM2 (0.44) CHRM2ADRA2AHTR2AHTR2CHTR2B
SCHEMBL17033019 0.66 ALDH1A1 (0.42) HTR2AHTR2CHTR2BALDH1A1SIGMAR1
SCHEMBL17169696 0.66 MMP2 (0.46) ALDH1A1MAPTTDP1TP53MEN1
SCHEMBL10427193 0.66 NPSR1 (0.42) HTR2AHTR2CHTR2BMAPTSIGMAR1

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-9073819-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2015-07-07 — — US disclosed
US-9073819-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2015-07-07 — — US disclosed
US-20140221473-A1 Compositions, Methods of Use, and Methods of Treatment UNIVERSITY OF SOUTH FLORIDA 2014-08-07 — — US disclosed
US-20140221473-A1 Compositions, Methods of Use, and Methods of Treatment UNIVERSITY OF SOUTH FLORIDA 2014-08-07 — — US disclosed
WO-2013003669-A2 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA (US) 2013-01-03 — — WO 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-20140221473-A1 Compositions, Methods of Use, and Methods of Treatment KCNQ5, KCNQ3, KCNQ2 CHRM2 792/4885ADRA2A 603/4885HTR2A 153/4885

“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.

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