SCHEMBL2061748

SCHEMBL2061748

CC1(C)C(=O)CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.41
AKR1B1 P15121 1/20 0.41
LMNA P02545 1/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM1A O60341 1/20 0.41
SRD5A1 P18405 1/20 0.41
CES1 P23141 1/20 0.40
NPC1 O15118 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL29858318 1.00 CHRM2 (0.49) CHRM2ADRA2ATSHRTDP1ALDH1A1
SCHEMBL19565413 0.84 KDM1A (0.47) CHRM2ALDH1A1LMNAHTR2AKDM1A
SCHEMBL5740020 0.81 HTR2A (0.48) CHRM2ADRA2ATSHRTDP1ALDH1A1
SCHEMBL4231166 0.80 CHRM2 (0.47) CHRM2ADRA2ATSHRTDP1ALDH1A1
SCHEMBL14358172 0.80 CHRM2 (0.47) CHRM2ADRA2ATSHRTDP1ALDH1A1
SCHEMBL29734668 0.77 CHRM2 (0.44) CHRM2ADRA2ATSHRTDP1ALDH1A1
SCHEMBL18440340 0.75 CHRM2 (0.42) CHRM2HTR2AKDM1AMAPK1SMN1; SMN2
SCHEMBL7070214 0.75 CHRM2 (0.42) CHRM2ADRA2ATSHRTDP1ALDH1A1
SCHEMBL30097085 0.75 CHRM2 (0.42) CHRM2ADRA2ATSHRTDP1ALDH1A1
SCHEMBL27375579 0.75 CHRM2 (0.42) CHRM2ADRA2ATSHRTDP1ALDH1A1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-111699220-B Squarylium salt compound for display device 日东电工株式会社 2022-08-23 CN disclosed
US-11422403-B2 Squarylium compounds for use in display devices NITTO DENKO CORPORATION (JP) 2022-08-23 US 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-20200369889-A1 SQUARYLIUM COMPOUNDS FOR USE IN DISPLAY DEVICES NITTO DENKO CORPORATION (JP) 2020-11-26 US disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
EP-0856514-B1 8-substituted-1,3,8-triazaspiro[4.5]decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2001-06-13 EP disclosed
CN-1049215-C Process for preparing benzoquinazoline thymidylate synthase inhibitors WELLOCOME FOUNDATION LTD (GB) 2000-02-09 CN disclosed
EP-0856514-A1 8-substituted-1,3,8-triazaspiro[4.5]decan-4-on derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-08-05 EP disclosed
CN-1058208-A PHARMACEUTICAL COMPOUNDS WELLCOME FOUND (GB) 1992-01-29 CN 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 (6 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET CHRM2 2093/4885ADRA2A 2163/4885TSHR 1728/4885
US-11422403-B2 Squarylium compounds for use in display devices SQLE, SPR, SYMPK CHRM2 1087/4885ADRA2A 1758/4885TSHR 4154/4885
US-20230055376-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 CHRM2 130/4885ADRA2A 26/4885TSHR 148/4885
US-20200383993-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 CHRM2 130/4885ADRA2A 26/4885TSHR 148/4885
US-11395824-B2 5-HT2C receptor agonists and compositions and methods of use HTR2C, HTR2A, HCRTR2 CHRM2 130/4885ADRA2A 26/4885TSHR 148/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET CHRM2 2093/4885ADRA2A 2163/4885TSHR 1728/4885

“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.