SCHEMBL18440641

SCHEMBL18440641

CC1(C)C(=O)CCc2cccc(Br)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.35
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
TYMS P04818 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CES1 P23141 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL20445639 0.79 KDM4E (0.46) MAP2K1CHRM2ADRA2AALDH1A1GAA
SCHEMBL897309 0.75 HTR5A (0.43) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL18495510 0.75 PDE7A (0.36) MAP2K1MEN1KMT2ANPC1MAPK13
SCHEMBL34461280 0.73 ALOX5 (0.39) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL22989715 0.71 LIMK1 (0.33) MAP2K1ALDH1A1GAAMEN1KMT2A
SCHEMBL2061748 0.71 CHRM2 (0.49) CHRM2ADRA2AALDH1A1NPC1MAPK13
SCHEMBL29858318 0.71 CHRM2 (0.49) CHRM2ADRA2AALDH1A1NPC1MAPK13
SCHEMBL20656717 0.68 MAP2K1 (0.39) MAP2K1ABHD6CA9
SCHEMBL18440401 0.68 KDM1A (0.39) ALDH1A1MEN1KMT2A
SCHEMBL20004157 0.66 MEN1 (0.40) ALDH1A1GAAMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-20230055376-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2023-02-23 US disclosed
US-20230055376-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2023-02-23 US disclosed
EP-3328835-B1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARM INC (US) 2022-10-12 EP disclosed
US-11395824-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2022-07-26 US disclosed
CN-108137508-B 5-HT2CReceptor agonists and compositions and methods of use 艾尼纳制药公司 2021-08-27 CN disclosed
US-20200383993-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2020-12-10 US disclosed
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-10624900-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
US-20200078368-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2020-03-12 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-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
US-20180214455-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2018-08-02 US disclosed
US-20180214455-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2018-08-02 US disclosed
EP-3328835-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE Arena Pharmaceuticals, Inc. (US) 2018-06-06 EP disclosed
WO-2017023679-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2017-02-09 WO disclosed
WO-2017023679-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2017-02-09 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 (8 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 MAP2K1 3710/4885CHRM2 130/4885ADRA2A 26/4885
US-20180214455-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 MAP2K1 3710/4885CHRM2 130/4885ADRA2A 26/4885
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SCN11A, SCN10A, CACNA1A MAP2K1 4729/4885CHRM2 139/4885ADRA2A 178/4885
US-20230055376-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 MAP2K1 3710/4885CHRM2 130/4885ADRA2A 26/4885
US-20200078368-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 MAP2K1 3710/4885CHRM2 130/4885ADRA2A 26/4885
US-10272094-B2 5-HT2C receptor agonists and compositions and methods of use HTR2C, HTR2A, HCRTR2 MAP2K1 3710/4885CHRM2 130/4885ADRA2A 26/4885
US-20200383993-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 MAP2K1 3710/4885CHRM2 130/4885ADRA2A 26/4885
US-11395824-B2 5-HT2C receptor agonists and compositions and methods of use HTR2C, HTR2A, HCRTR2 MAP2K1 3710/4885CHRM2 130/4885ADRA2A 26/4885

“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.