SCHEMBL22016178

SCHEMBL22016178

CC(C)c1cccc2c1COCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 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
LMNA P02545 1/20 0.36
CYP1A2 P05177 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
SCHEMBL21787514 0.86 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL16474365 0.83 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL25799301 0.79 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL16746108 0.77
SCHEMBL12043369 0.76 KDM4E (0.39) CYP11B2
SCHEMBL24367970 0.74 SMN1; SMN2 (0.44) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL21893442 0.73 BCL2L1 (0.45) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL18540425 0.73 BCL2L1 (0.50) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL27011069 0.72 FAAH (0.32) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL21955312 0.72 CD44 (0.43) LMNACYP3A4HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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 (10 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP GABRA1 764/4885GABRG2 441/4885GABRB3 515/4885
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 GABRA1 1419/4885GABRG2 1570/4885GABRB3 1095/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 GABRA1 1035/4885GABRG2 1114/4885GABRB3 1025/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 GABRA1 4125/4885GABRG2 4069/4885GABRB3 3726/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 GABRA1 4125/4885GABRG2 4069/4885GABRB3 3726/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B GABRA1 1686/4885GABRG2 1981/4885GABRB3 1140/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 GABRA1 389/4885GABRG2 944/4885GABRB3 1146/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 GABRA1 1419/4885GABRG2 1570/4885GABRB3 1095/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 GABRA1 389/4885GABRG2 944/4885GABRB3 1146/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 GABRA1 4125/4885GABRG2 4069/4885GABRB3 3726/4885

“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.