SCHEMBL10199247

SCHEMBL10199247

CC(C)c1cnc2cccc(C(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.36
LMNA P02545 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
CYP1A2 P05177 2/20 0.36
GABRB2 P47870 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
HTR2B P41595 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL14500237 0.85 MET (0.36) GABRA1LMNAGABRG2GABRB3CYP1A2
SCHEMBL10263016 0.85 MET (0.36) GABRA1LMNAGABRG2GABRB3CYP1A2
SCHEMBL18905193 0.82 CYP1A2 (0.47) GABRA1LMNAGABRG2GABRB3CYP1A2
SCHEMBL14493403 0.82 CYP1A2 (0.37) LMNACYP1A2CYP3A4HPGDTSHR
SCHEMBL2609313 0.81 MASP2 (0.36) CYP1A2KDM4EGPR3MAPTEGFR
SCHEMBL18368376 0.81 ALOX5AP (0.36) GABRA1LMNAGABRG2GABRB3CYP1A2
SCHEMBL26854288 0.81 PDGFRB (0.48) KDM4EGPR3LRRK2ALOX5APFEN1
SCHEMBL14493346 0.81 ALDH1A1 (0.46) LMNACYP1A2CYP3A4HPGDTSHR
SCHEMBL2285438 0.79 GPR3 (0.46) LMNACYP1A2KDM4EGPR3LRRK2
SCHEMBL21783731 0.78 MTNR1B (0.47) GABRA1GABRG2GABRB3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135723-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2023-05-04 US disclosed
US-20230135723-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2023-05-04 US disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
US-20200239553-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2020-07-30 US disclosed
US-10640563-B2 Anti-B7-H3 antibodies and antibody drug conjugates ABBVIE INC. (US) 2020-05-05 US disclosed
US-20200121803-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. 2020-04-23 US disclosed
US-20190343961-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC. 2019-11-14 US disclosed
US-20190153108-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2019-05-23 US disclosed
US-20190142941-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same ABBVIE INC (US) 2019-05-16 US disclosed
US-20170355769-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. 2017-12-14 US disclosed
US-20170355769-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. 2017-12-14 US disclosed
US-20160339117-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-11-24 US disclosed
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-06-09 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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 (12 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-20200239553-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX GABRA1 1442/4885LMNA 3443/4885GABRG2 561/4885
US-20230135723-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 GABRA1 603/4885LMNA 2930/4885GABRG2 416/4885
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 GABRA1 3838/4885LMNA 3551/4885GABRG2 3527/4885
US-20170355769-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES HRH3, H1-3, CD274 GABRA1 1458/4885LMNA 4613/4885GABRG2 1526/4885
US-10640563-B2 Anti-B7-H3 antibodies and antibody drug conjugates HRH3, H1-3, CD274 GABRA1 1458/4885LMNA 4613/4885GABRG2 1526/4885
US-20160339117-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same BCL2, BAX, BCL9 GABRA1 1492/4885LMNA 1814/4885GABRG2 485/4885
US-20190343961-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES EGFR, ERBB2, ERBB3 GABRA1 660/4885LMNA 4516/4885GABRG2 219/4885
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX GABRA1 1442/4885LMNA 3443/4885GABRG2 561/4885
US-20190142941-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same BCL2, BAX, BCL9 GABRA1 1492/4885LMNA 1814/4885GABRG2 485/4885
US-20190153108-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES EGFR, ERBB2, ERBB3 GABRA1 660/4885LMNA 4516/4885GABRG2 219/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 GABRA1 2619/4885LMNA 2237/4885GABRG2 2616/4885
US-20200121803-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 GABRA1 603/4885LMNA 2930/4885GABRG2 416/4885

“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.