SCHEMBL2912686

SCHEMBL2912686

COc1cccc(C2CCC(=O)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.64
DRD2 P14416 2/20 0.55
DDB1 Q16531 1/20 0.55
CRBN Q96SW2 1/20 0.55
ADRA1A P35348 2/20 0.52
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
GID4 Q8IVV7 1/20 0.48
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1B P35368 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GRM7 Q14831 1/20 0.46

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
SCHEMBL7057736 0.90 ADRA1A (0.56) HTR2CDRD2DDB1CRBNADRA1A
SCHEMBL1515134 0.86 HTR2C (0.77) HTR2CDRD2DDB1CRBNADRA1A
SCHEMBL30997824 0.86 HTR2C (0.77) HTR2CDRD2DDB1CRBNADRA1A
SCHEMBL14613763 0.83 HTR2C (0.64) HTR2CDRD2DDB1CRBNADRA1A
SCHEMBL23705886 0.83 HTR2C (0.58) HTR2CDRD2DDB1CRBNADRA1A
Methyl Alcohol SCHEMBL8097139 0.82 HTR2C (0.72) HTR2CDRD2DDB1CRBNADRA1A
SCHEMBL7844832 0.82 HTR2C (0.72) HTR2CDRD2DDB1CRBNADRA1A
SCHEMBL1515075 0.82 HTR2C (0.72) HTR2CDRD2DDB1CRBNADRA1A
SCHEMBL3161832 0.82 PDE4A (0.52) HTR2CDDB1CRBNPDE4APDE4B
SCHEMBL4359622 0.81 CYP3A4 (0.49) HTR2CPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250363-B1 TRIAZINE DERIVATIVES OF PIPERIDINYLAMIDINES CIBA-GEIGY AG (CH) 1990-11-28 EP claimed
JP-5059165-A None JP disclosed
CN-113861077-A Method for preparing p-phenylene diisocyanate by non-phosgene method 王植源 2021-12-31 CN disclosed
US-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors JACOBIO PHARMACEUTICALS CO LTD (CN) 2021-12-23 US disclosed
CN-111712490-A Amino-substituted pyridone derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2020-09-25 CN disclosed
WO-2020063760-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-04-02 WO disclosed
US-9796139-B2 Three-dimensional shaping composition, method for producing three-dimensionally shaped article, and three-dimensionally shaped article SEIKO EPSON CORPORATION (JP) 2017-10-24 US disclosed
US-20160108259-A1 THREE-DIMENSIONAL SHAPING COMPOSITION, METHOD FOR PRODUCING THREE-DIMENSIONALLY SHAPED ARTICLE, AND THREE-DIMENSIONALLY SHAPED ARTICLE SEIKO EPSON CORPORATION (JP) 2016-04-21 US disclosed
US-8808948-B2 Dispersion composition, photosensitive resin composition for light-shielding color filter, light-shielding color filter, method of producing the same, and solid-state image sensor having the color filter FUJIFILM CORPORATION (JP) 2014-08-19 US disclosed
US-8507100-B2 Primer, conductor foil with resin, laminated sheet and method of manufacturing laminated sheet HITACHI CHEMICAL COMPANY, LTD. (JP) 2013-08-13 US disclosed
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity CHEN LI (US) 2003-12-11 US disclosed
US-6600015-B2 Treatment or prevention of obesity. HOFFMANN-LA ROCHE INC. 2003-07-29 US disclosed
EP-1315750-A2 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
EP-1272516-A2 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-01-08 EP disclosed
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity CHEN LI (US) 2002-10-03 US disclosed
WO-2002018437-A2 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity HOFFMANN-LA ROCHE INC. 2001-12-27 US disclosed
WO-2001074844-A2 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2001-10-11 WO disclosed
JP-H0559165-A POLYCARBONATE OF BISHYDROXYCYCLOHEXYLESTER CHISSO CORP 1993-03-09 JP disclosed
US-3960802-A Process for the manufacture of a one-component room-temperature vulcanizable silicone composition GENERAL ELECTRIC COMPANY (US) 1976-06-01 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-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R HTR2C 568/4885DRD2 1293/4885DDB1 4647/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R HTR2C 247/4885DRD2 850/4885DDB1 4290/4885
US-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors PTPN1, PTPN5, PTPN2 HTR2C 3677/4885DRD2 4863/4885DDB1 1845/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R HTR2C 239/4885DRD2 1017/4885DDB1 4390/4885

“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.