SCHEMBL20445641

SCHEMBL20445641

Nc1cccc2c1C1(CCCC1)C(=O)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.33
CD44 P16070 1/20 0.33
MAPK13 O15264 2/20 0.32
MAPK12 P53778 2/20 0.32
MAPK11 Q15759 2/20 0.32
MAPK14 Q16539 2/20 0.32
NPC1 O15118 1/20 0.32
NOS3 P29474 1/20 0.32

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
SCHEMBL18495510 0.81 PDE7A (0.36) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL31661007 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL20445639 0.74 KDM4E (0.46) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL14544790 0.73 HTR2A (0.55) HTR2AHTR2CHTR2BSIGMAR1KDM1A
SCHEMBL22758578 0.69 KDM1A (0.41) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL29328920 0.68 CRBN (0.33) ALDH1A1CRBN
SCHEMBL19055863 0.67 KDM1A (0.46) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL2015392 0.66 ALDH1A1 (0.35) ALDH1A1L3MBTL1CRBN
SCHEMBL2015391 0.66 ALDH1A1 (0.35) ALDH1A1L3MBTL1CRBN
SCHEMBL15268227 0.66 KDM4E (0.36) ALDH1A1KDM4EMEN1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200383993-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2020-12-10 US disclosed
US-10624900-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
US-10272094-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2019-04-30 US disclosed
US-20180214455-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2018-08-02 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 (4 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-10624900-B2 5-HT2C receptor agonists and compositions and methods of use HTR2C, HTR2A, HCRTR2 ALDH1A1 1924/4885KDM4E 1848/4885MEN1 2051/4885
US-20180214455-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 ALDH1A1 1924/4885KDM4E 1848/4885MEN1 2051/4885
US-10272094-B2 5-HT2C receptor agonists and compositions and methods of use HTR2C, HTR2A, HCRTR2 ALDH1A1 1924/4885KDM4E 1848/4885MEN1 2051/4885
US-20200383993-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 ALDH1A1 1924/4885KDM4E 1848/4885MEN1 2051/4885

“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.