SCHEMBL1106199

SCHEMBL1106199

CC(C)(C)c1c[nH]c(=O)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.35
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ATP2A2 P16615 1/20 0.33
ATP2A3 Q93084 1/20 0.33
DAO P14920 1/20 0.31
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
GLRA3 O75311 1/20 0.30
GLRB P48167 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30

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
SCHEMBL24018711 0.87 PIK3R1 (0.38) ALDH1A1KDM4E
SCHEMBL18024930 0.82 CYP1A2 (0.33) ADRA1AALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL21362124 0.81
SCHEMBL1123653 0.79 GRIN2D (0.38) ADRA1A
SCHEMBL10110584 0.79 GRIN2D (0.38) ADRA1A
SCHEMBL21362067 0.77 CHEK1 (0.36) ADRA1A
SCHEMBL16072966 0.77 GRIA1 (0.35) ADRA1AALDH1A1KDM4ECYP1A2MAPT
SCHEMBL10671983 0.71 PIK3R1 (0.41) ADRA1A
SCHEMBL21237470 0.69 CA2 (0.35) ALDH1A1KDM4ECYP1A2CA2
SCHEMBL14232052 0.67 GRIN2D (0.35) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174530-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-06-08 US disclosed
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 US disclosed
US-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS CHACKALAMANNIL SAMUEL (US) 2012-06-21 US disclosed
US-8153664-B2 thrombosis, atherosclerosis, restenosis, hypertension, angina pectoris, arrhythmia, heart failures and cancer SCHERING CORPORATION (US) 2012-04-10 US disclosed
US-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists SCHERING CORPORATION 2008-04-17 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-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists EDNRB, TBXA2R, BDKRB1 ADRA1A 517/4885ALDH1A1 4470/4885SMN1; SMN2 4159/4885
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 ADRA1A 3730/4885ALDH1A1 4457/4885SMN1; SMN2 4369/4885
US-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS EDNRB, TBXA2R, BDKRB1 ADRA1A 554/4885ALDH1A1 4530/4885SMN1; SMN2 4168/4885
US-20230174530-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 GPR3, GPR65, GPR52 ADRA1A 106/4885ALDH1A1 2199/4885SMN1; SMN2 4806/4885

“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.